4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C33H37FN8O — CID 172608747

IUPAC4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCNc1cc(-c2ccc(F)cc2-c2nncn2C)cc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)n1
InChIInChI=1S/C33H37FN8O/c1-4-35-29-12-22(25-10-9-23(34)14-27(25)32-39-36-19-40(32)3)13-30(38-29)42-18-28(21-7-8-21)26-15-24(37-31(26)33(42)43)17-41-11-5-6-20(2)16-41/h9-10,12-15,18-21,37H,4-8,11,16-17H2,1-3H3,(H,35,38)/t20-/m0/s1
InChIKeyVXHGNYNDCSLSHS-FQEVSTJZSA-N
MW580.71 g/mol
LogP5.86
Rot. Bonds8

About 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172608747) has the molecular formula C33H37FN8O and a molecular weight of 580.71 g/mol. Its IUPAC name is 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172608747
Molecular FormulaC33H37FN8O
Molecular Weight580.71 g/mol
Exact Mass580.31
IUPAC Name4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCNc1cc(-c2ccc(F)cc2-c2nncn2C)cc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)n1
InChIInChI=1S/C33H37FN8O/c1-4-35-29-12-22(25-10-9-23(34)14-27(25)32-39-36-19-40(32)3)13-30(38-29)42-18-28(21-7-8-21)26-15-24(37-31(26)33(42)43)17-41-11-5-6-20(2)16-41/h9-10,12-15,18-21,37H,4-8,11,16-17H2,1-3H3,(H,35,38)/t20-/m0/s1
InChIKeyVXHGNYNDCSLSHS-FQEVSTJZSA-N
XLogP5.86
TPSA96.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608828
4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608468
6-[6-chloro-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]-2-pyridinyl]-4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608801
4-cyclopropyl-6-[3-[4-fluoro-2-(1-methylimidazol-2-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608451
4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608503
3-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)quinazolin-4-one
CID 171102168
4-cyclopropyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 174175582
4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 175983608
4-cyclopropyl-6-[3-[3-fluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170737099
2-[2-cyclopropyl-6-[4-cyclopropyl-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]-4-pyridinyl]-5-fluoro-N,N-dimethylbenzamide
CID 172581039
2-[[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(1-methylimidazol-2-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608716
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)-1H-benzimidazole
CID 166557504

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172608747) is 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is CCNc1cc(-c2ccc(F)cc2-c2nncn2C)cc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)n1.
What is the InChIKey of 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is VXHGNYNDCSLSHS-FQEVSTJZSA-N. The full InChI is InChI=1S/C33H37FN8O/c1-4-35-29-12-22(25-10-9-23(34)14-27(25)32-39-36-19-40(32)3)13-30(38-29)42-18-28(21-7-8-21)26-15-24(37-31(26)33(42)43)17-41-11-5-6-20(2)16-41/h9-10,12-15,18-21,37H,4-8,11,16-17H2,1-3H3,(H,35,38)/t20-/m0/s1.
What are the key properties of 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 580.71 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[6-(ethylamino)-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).