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

C33H36FN5O2 — CID 172581039

IUPAC2-[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
SMILESCN(C)C(=O)c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C3CC3)c3cc(CN4CCCCC4)[nH]c3c2=O)c1
InChIInChI=1S/C33H36FN5O2/c1-37(2)32(40)27-16-23(34)10-11-25(27)22-14-29(21-8-9-21)36-30(15-22)39-19-28(20-6-7-20)26-17-24(35-31(26)33(39)41)18-38-12-4-3-5-13-38/h10-11,14-17,19-21,35H,3-9,12-13,18H2,1-2H3
InChIKeyYRCKVUXCRLETDX-UHFFFAOYSA-N
MW553.68 g/mol
LogP5.96
Rot. Bonds7

About 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

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 (PubChem CID 172581039) has the molecular formula C33H36FN5O2 and a molecular weight of 553.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID172581039
Molecular FormulaC33H36FN5O2
Molecular Weight553.68 g/mol
Exact Mass553.29
IUPAC Name2-[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
SMILESCN(C)C(=O)c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C3CC3)c3cc(CN4CCCCC4)[nH]c3c2=O)c1
InChIInChI=1S/C33H36FN5O2/c1-37(2)32(40)27-16-23(34)10-11-25(27)22-14-29(21-8-9-21)36-30(15-22)39-19-28(20-6-7-20)26-17-24(35-31(26)33(39)41)18-38-12-4-3-5-13-38/h10-11,14-17,19-21,35H,3-9,12-13,18H2,1-2H3
InChIKeyYRCKVUXCRLETDX-UHFFFAOYSA-N
XLogP5.96
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.68
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

6-[2-[4-cyano-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]-6-cyclopropyl-4-pyridinyl]-2,3-difluoro-N,N-dimethylbenzamide
CID 175664523
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
3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 172580934
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
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
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
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
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
2-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-3H-isoindol-1-one;ethane
CID 172580981
2-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-3H-isoindol-1-one
CID 172580982
6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608879
4-cyclopropyl-6-[3-(3-fluorocyclobutyl)cyclohexyl]-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170736997

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C3CC3)c3cc(CN4CCCCC4)[nH]c3c2=O)c1.
What is the InChIKey of 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?
The InChIKey is YRCKVUXCRLETDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN5O2/c1-37(2)32(40)27-16-23(34)10-11-25(27)22-14-29(21-8-9-21)36-30(15-22)39-19-28(20-6-7-20)26-17-24(35-31(26)33(39)41)18-38-12-4-3-5-13-38/h10-11,14-17,19-21,35H,3-9,12-13,18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 553.68 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172581039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).