[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate

C73H67F2N15O13 — CID 165078916

IUPAC[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CN(C(=O)c1cc3ccccn3c1)CC2.COC(=O)c1cc2ccccn2c1.O=C(O)c1cc2ccccn2c1.O=C(O)c1n[nH]c2c1CN(C(=O)c1cc3ccccn3c1)CC2.O=C(c1cc2ccccn2c1)N1CCc2[nH]nc(C(=O)N3CCOC(F)(F)C3)c2C1
InChIInChI=1S/C20H19F2N5O3.C18H18N4O3.C16H14N4O3.C10H9NO2.C9H7NO2/c21-20(22)12-27(7-8-30-20)19(29)17-15-11-26(6-4-16(15)23-24-17)18(28)13-9-14-3-1-2-5-25(14)10-13;1-2-25-18(24)16-14-11-22(8-6-15(14)19-20-16)17(23)12-9-13-5-3-4-7-21(13)10-12;21-15(10-7-11-3-1-2-5-19(11)8-10)20-6-4-13-12(9-20)14(16(22)23)18-17-13;1-13-10(12)8-6-9-4-2-3-5-11(9)7-8;11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-3,5,9-10H,4,6-8,11-12H2,(H,23,24);3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,20);1-3,5,7-8H,4,6,9H2,(H,17,18)(H,22,23);2-7H,1H3;1-6H,(H,11,12)
InChIKeyUUFLTGSSRGIQLM-UHFFFAOYSA-N
MW1400.43 g/mol
LogP8.89
Rot. Bonds9

About [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate

[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate (PubChem CID 165078916) has the molecular formula C73H67F2N15O13 and a molecular weight of 1400.43 g/mol. Its IUPAC name is [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate.

Molecular Properties

Compound Name[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate
PubChem CID165078916
Molecular FormulaC73H67F2N15O13
Molecular Weight1400.43 g/mol
Exact Mass1399.50
IUPAC Name[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CN(C(=O)c1cc3ccccn3c1)CC2.COC(=O)c1cc2ccccn2c1.O=C(O)c1cc2ccccn2c1.O=C(O)c1n[nH]c2c1CN(C(=O)c1cc3ccccn3c1)CC2.O=C(c1cc2ccccn2c1)N1CCc2[nH]nc(C(=O)N3CCOC(F)(F)C3)c2C1
InChIInChI=1S/C20H19F2N5O3.C18H18N4O3.C16H14N4O3.C10H9NO2.C9H7NO2/c21-20(22)12-27(7-8-30-20)19(29)17-15-11-26(6-4-16(15)23-24-17)18(28)13-9-14-3-1-2-5-25(14)10-13;1-2-25-18(24)16-14-11-22(8-6-15(14)19-20-16)17(23)12-9-13-5-3-4-7-21(13)10-12;21-15(10-7-11-3-1-2-5-19(11)8-10)20-6-4-13-12(9-20)14(16(22)23)18-17-13;1-13-10(12)8-6-9-4-2-3-5-11(9)7-8;11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-3,5,9-10H,4,6-8,11-12H2,(H,23,24);3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,20);1-3,5,7-8H,4,6,9H2,(H,17,18)(H,22,23);2-7H,1H3;1-6H,(H,11,12)
InChIKeyUUFLTGSSRGIQLM-UHFFFAOYSA-N
XLogP8.89
TPSA325.76 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.43
LogP ≤ 58.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate with MolForge

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Related Compounds

CID 158870320
CID 158870320
sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]indolizine-7-carboxamide;6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 159040177
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 159043135
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(6-methyl-3,4,5,6-tetrahydropyridazin-3-yl)indolizine-7-carboxylate;hydrochloride
CID 159627072
6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;5-[6-[[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxylic acid;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 160048613
Ethyl 5-amino-2-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 165108370
6-(3,5-dimethyltriazol-4-yl)-1,4-dimethyl-4-[4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)butyl]-5H-pyrazolo[4,5-c][1,5]naphthyridine-3-carboxylic acid;methyl 10-(3,5-dimethyltriazol-4-yl)-3-methyl-7-[4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)butyl]-3,4,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-5-carboxylate
CID 175729871
3-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide;3-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 91322964
7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 157184425
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-5-carboxylic acid;ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-5-carboxylate
CID 157290813
benzene-1,4-diamine;cyclopenta-1,3-diene-1-carboxylic acid;deuterio(fluoro)methane;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methanol
CID 157302147
CID 157594753
CID 157594753

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate?
The IUPAC name of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate (CID 165078916) is [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate.
What is the SMILES notation for [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate?
The canonical SMILES for [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate is CCOC(=O)c1n[nH]c2c1CN(C(=O)c1cc3ccccn3c1)CC2.COC(=O)c1cc2ccccn2c1.O=C(O)c1cc2ccccn2c1.O=C(O)c1n[nH]c2c1CN(C(=O)c1cc3ccccn3c1)CC2.O=C(c1cc2ccccn2c1)N1CCc2[nH]nc(C(=O)N3CCOC(F)(F)C3)c2C1.
What is the InChIKey of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate?
The InChIKey is UUFLTGSSRGIQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3.C18H18N4O3.C16H14N4O3.C10H9NO2.C9H7NO2/c21-20(22)12-27(7-8-30-20)19(29)17-15-11-26(6-4-16(15)23-24-17)18(28)13-9-14-3-1-2-5-25(14)10-13;1-2-25-18(24)16-14-11-22(8-6-15(14)19-20-16)17(23)12-9-13-5-3-4-7-21(13)10-12;21-15(10-7-11-3-1-2-5-19(11)8-10)20-6-4-13-12(9-20)14(16(22)23)18-17-13;1-13-10(12)8-6-9-4-2-3-5-11(9)7-8;11-9(12)7-5-8-3-1-2-4-10(8)6-7/h1-3,5,9-10H,4,6-8,11-12H2,(H,23,24);3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,20);1-3,5,7-8H,4,6,9H2,(H,17,18)(H,22,23);2-7H,1H3;1-6H,(H,11,12).
What are the key properties of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate?
[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate has a molecular weight of 1400.43 g/mol, XLogP of 8.89, 9 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone;ethyl 5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;5-(indolizine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;indolizine-2-carboxylic acid;methyl indolizine-2-carboxylate is sourced from PubChem (CID 165078916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).