N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide

C26H18ClFN6O — CID 121479607

IUPACN-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4cnc5[nH]cc(Cl)c5c4F)ccn3)cc2c1
InChIInChI=1S/C26H18ClFN6O/c1-14-4-17-5-15(6-18(9-29)24(17)31-10-14)7-20-8-16(2-3-30-20)26(35)34-12-19-11-32-25-22(23(19)28)21(27)13-33-25/h2-6,8,10-11,13H,7,12H2,1H3,(H,32,33)(H,34,35)
InChIKeyACMRFYVAFTWNFI-UHFFFAOYSA-N
MW484.92 g/mol
LogP5.00
Rot. Bonds5

About N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 121479607) has the molecular formula C26H18ClFN6O and a molecular weight of 484.92 g/mol. Its IUPAC name is N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID121479607
Molecular FormulaC26H18ClFN6O
Molecular Weight484.92 g/mol
Exact Mass484.12
IUPAC NameN-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4cnc5[nH]cc(Cl)c5c4F)ccn3)cc2c1
InChIInChI=1S/C26H18ClFN6O/c1-14-4-17-5-15(6-18(9-29)24(17)31-10-14)7-20-8-16(2-3-30-20)26(35)34-12-19-11-32-25-22(23(19)28)21(27)13-33-25/h2-6,8,10-11,13H,7,12H2,1H3,(H,32,33)(H,34,35)
InChIKeyACMRFYVAFTWNFI-UHFFFAOYSA-N
XLogP5.00
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

CID 51351031
CID 51351031
CID 155739023
CID 155739023
CID 71608474
CID 71608474
CID 73331324
CID 73331324
CID 138319688
CID 138319688
CID 89783370
CID 89783370
CID 89783747
CID 89783747
CID 118720458
CID 118720458
CID 122179440
CID 122179440
CID 90412402
CID 90412402
CID 90413770
CID 90413770
CID 118025248
CID 118025248

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 121479607) is N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4cnc5[nH]cc(Cl)c5c4F)ccn3)cc2c1.
What is the InChIKey of N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is ACMRFYVAFTWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN6O/c1-14-4-17-5-15(6-18(9-29)24(17)31-10-14)7-20-8-16(2-3-30-20)26(35)34-12-19-11-32-25-22(23(19)28)21(27)13-33-25/h2-6,8,10-11,13H,7,12H2,1H3,(H,32,33)(H,34,35).
What are the key properties of N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 484.92 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 121479607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).