N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride

C96H96ClN19O12S4 — CID 164952719

IUPACN-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride
SMILESCCCC(C)OC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.CCOC(=O)Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1.Cl.O=C(NC1CCOCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)cn4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCCCC5)c4c3)cc2s1)C1CC1
InChIInChI=1S/C25H25N5O2S.C24H24N4O4S.C24H24N4O3S.C23H22N6O3S.ClH/c31-23(15-6-7-15)29-24-28-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-30(21)25(32)27-18-4-2-1-3-5-18;1-2-31-23(29)27-22-26-19-9-8-15(13-21(19)33-22)16-12-20-18(25-14-16)10-11-28(20)24(30)32-17-6-4-3-5-7-17;1-3-4-14(2)31-24(30)28-10-9-18-20(28)11-17(13-25-18)16-7-8-19-21(12-16)32-23(26-19)27-22(29)15-5-6-15;30-21(13-1-2-13)27-18-12-29-11-14(3-4-19(29)26-18)15-9-17-20(28-33-23(17)24-10-15)22(31)25-16-5-7-32-8-6-16;/h8-15,18H,1-7H2,(H,27,32)(H,28,29,31);8-14,17H,2-7H2,1H3,(H,26,27,29);7-15H,3-6H2,1-2H3,(H,26,27,29);3-4,9-13,16H,1-2,5-8H2,(H,25,31)(H,27,30);1H
InChIKeyVKSKTFVNXREHCO-UHFFFAOYSA-N
MW1871.67 g/mol
LogP21.27
Rot. Bonds19

About N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride

N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride (PubChem CID 164952719) has the molecular formula C96H96ClN19O12S4 and a molecular weight of 1871.67 g/mol. Its IUPAC name is N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride
PubChem CID164952719
Molecular FormulaC96H96ClN19O12S4
Molecular Weight1871.67 g/mol
Exact Mass1869.61
IUPAC NameN-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride
SMILESCCCC(C)OC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.CCOC(=O)Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1.Cl.O=C(NC1CCOCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)cn4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCCCC5)c4c3)cc2s1)C1CC1
InChIInChI=1S/C25H25N5O2S.C24H24N4O4S.C24H24N4O3S.C23H22N6O3S.ClH/c31-23(15-6-7-15)29-24-28-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-30(21)25(32)27-18-4-2-1-3-5-18;1-2-31-23(29)27-22-26-19-9-8-15(13-21(19)33-22)16-12-20-18(25-14-16)10-11-28(20)24(30)32-17-6-4-3-5-7-17;1-3-4-14(2)31-24(30)28-10-9-18-20(28)11-17(13-25-18)16-7-8-19-21(12-16)32-23(26-19)27-22(29)15-5-6-15;30-21(13-1-2-13)27-18-12-29-11-14(3-4-19(29)26-18)15-9-17-20(28-33-23(17)24-10-15)22(31)25-16-5-7-32-8-6-16;/h8-15,18H,1-7H2,(H,27,32)(H,28,29,31);8-14,17H,2-7H2,1H3,(H,26,27,29);7-15H,3-6H2,1-2H3,(H,26,27,29);3-4,9-13,16H,1-2,5-8H2,(H,25,31)(H,27,30);1H
InChIKeyVKSKTFVNXREHCO-UHFFFAOYSA-N
XLogP21.27
TPSA380.87 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001871.67
LogP ≤ 521.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride with MolForge

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Related Compounds

CID 159240111
CID 159240111
Cyclopropylmethyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 159257352
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
CID 164993116
Cyclohexyl 6-(2-acetamido-1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridine-1-carboxylate;cyclohexyl 6-(2-acetamido-1,3-benzothiazol-6-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
CID 165039423
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
CID 165067490
cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-cyclopropyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 157194932
CID 157455467
CID 157455467
N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 157460921
Cyclopropylmethyl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;cyclopropylmethyl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;cyclopropylmethyl 6-[2-(methylcarbamoylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;cyclopropylmethyl 6-[2-(methylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 157909472
N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
CID 158140149
cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate
CID 158246505
1-[6-[7-(1-Acetylpiperidin-4-yl)-4-aminopyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-methylurea;1-[6-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-methylurea;1-[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]-3-methylurea
CID 158899748

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?
The IUPAC name of N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride (CID 164952719) is N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride.
What is the SMILES notation for N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?
The canonical SMILES for N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride is CCCC(C)OC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.CCOC(=O)Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1.Cl.O=C(NC1CCOCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)cn4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCCCC5)c4c3)cc2s1)C1CC1.
What is the InChIKey of N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?
The InChIKey is VKSKTFVNXREHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S.C24H24N4O4S.C24H24N4O3S.C23H22N6O3S.ClH/c31-23(15-6-7-15)29-24-28-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-30(21)25(32)27-18-4-2-1-3-5-18;1-2-31-23(29)27-22-26-19-9-8-15(13-21(19)33-22)16-12-20-18(25-14-16)10-11-28(20)24(30)32-17-6-4-3-5-7-17;1-3-4-14(2)31-24(30)28-10-9-18-20(28)11-17(13-25-18)16-7-8-19-21(12-16)32-23(26-19)27-22(29)15-5-6-15;30-21(13-1-2-13)27-18-12-29-11-14(3-4-19(29)26-18)15-9-17-20(28-33-23(17)24-10-15)22(31)25-16-5-7-32-8-6-16;/h8-15,18H,1-7H2,(H,27,32)(H,28,29,31);8-14,17H,2-7H2,1H3,(H,26,27,29);7-15H,3-6H2,1-2H3,(H,26,27,29);3-4,9-13,16H,1-2,5-8H2,(H,25,31)(H,27,30);1H.
What are the key properties of N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride?
N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride has a molecular weight of 1871.67 g/mol, XLogP of 21.27, 19 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;cyclohexyl 6-[2-(ethoxycarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;pentan-2-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;hydrochloride is sourced from PubChem (CID 164952719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).