N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C81H66N20O5 — CID 157404647

IUPACN-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(NC1CC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccccc1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C23H17N5O.C21H19N5O2.C20H17N5O.C17H13N5O/c29-23(28-19-4-2-1-3-5-19)16-8-6-15(7-9-16)17-10-20-21(18-12-26-27-13-18)14-25-22(20)24-11-17;27-21(26-5-7-28-8-6-26)15-3-1-14(2-4-15)16-9-18-19(17-11-24-25-12-17)13-23-20(18)22-10-16;26-20(25-16-5-6-16)13-3-1-12(2-4-13)14-7-17-18(15-9-23-24-10-15)11-22-19(17)21-8-14;18-16(23)11-3-1-10(2-4-11)12-5-14-15(13-7-21-22-8-13)9-20-17(14)19-6-12/h1-14H,(H,24,25)(H,26,27)(H,28,29);1-4,9-13H,5-8H2,(H,22,23)(H,24,25);1-4,7-11,16H,5-6H2,(H,21,22)(H,23,24)(H,25,26);1-9H,(H2,18,23)(H,19,20)(H,21,22)
InChIKeyBNOSNGFVTZKAIK-UHFFFAOYSA-N
MW1399.55 g/mol
LogP14.20
Rot. Bonds14

About N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 157404647) has the molecular formula C81H66N20O5 and a molecular weight of 1399.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID157404647
Molecular FormulaC81H66N20O5
Molecular Weight1399.55 g/mol
Exact Mass1398.55
IUPAC NameN-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(NC1CC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccccc1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C23H17N5O.C21H19N5O2.C20H17N5O.C17H13N5O/c29-23(28-19-4-2-1-3-5-19)16-8-6-15(7-9-16)17-10-20-21(18-12-26-27-13-18)14-25-22(20)24-11-17;27-21(26-5-7-28-8-6-26)15-3-1-14(2-4-15)16-9-18-19(17-11-24-25-12-17)13-23-20(18)22-10-16;26-20(25-16-5-6-16)13-3-1-12(2-4-13)14-7-17-18(15-9-23-24-10-15)11-22-19(17)21-8-14;18-16(23)11-3-1-10(2-4-11)12-5-14-15(13-7-21-22-8-13)9-20-17(14)19-6-12/h1-14H,(H,24,25)(H,26,27)(H,28,29);1-4,9-13H,5-8H2,(H,22,23)(H,24,25);1-4,7-11,16H,5-6H2,(H,21,22)(H,23,24)(H,25,26);1-9H,(H2,18,23)(H,19,20)(H,21,22)
InChIKeyBNOSNGFVTZKAIK-UHFFFAOYSA-N
XLogP14.20
TPSA360.27 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001399.55
LogP ≤ 514.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Analyze N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide with MolForge

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Related Compounds

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1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N-(ethylcarbamoyl)anilino]-1-[4-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 87606766
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
N-cyclopropyl-4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-difluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethyl-2-fluorobenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N,N-dimethylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-propan-2-ylbenzamide
CID 157656021
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
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CID 157944867
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide;3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
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N-(1H-indol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-pyridin-2-ylethyl)benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
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(4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 158370931
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-phenyl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158669616
[4-[3-[2-[2-(3-Methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 158759955

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 157404647) is N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(NC1CC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccccc1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is BNOSNGFVTZKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O.C21H19N5O2.C20H17N5O.C17H13N5O/c29-23(28-19-4-2-1-3-5-19)16-8-6-15(7-9-16)17-10-20-21(18-12-26-27-13-18)14-25-22(20)24-11-17;27-21(26-5-7-28-8-6-26)15-3-1-14(2-4-15)16-9-18-19(17-11-24-25-12-17)13-23-20(18)22-10-16;26-20(25-16-5-6-16)13-3-1-12(2-4-13)14-7-17-18(15-9-23-24-10-15)11-22-19(17)21-8-14;18-16(23)11-3-1-10(2-4-11)12-5-14-15(13-7-21-22-8-13)9-20-17(14)19-6-12/h1-14H,(H,24,25)(H,26,27)(H,28,29);1-4,9-13H,5-8H2,(H,22,23)(H,24,25);1-4,7-11,16H,5-6H2,(H,21,22)(H,23,24)(H,25,26);1-9H,(H2,18,23)(H,19,20)(H,21,22).
What are the key properties of N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 1399.55 g/mol, XLogP of 14.20, 14 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;morpholin-4-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-phenyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 157404647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).