N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide

C26H27FN4O3 — CID 121417743

IUPACN-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)c3c(n2CC2CCOCC2)CCNC3=O)ccn1
InChIInChI=1S/C26H27FN4O3/c1-16(32)30-22-14-19(6-10-28-22)25-23(18-2-4-20(27)5-3-18)24-21(7-11-29-26(24)33)31(25)15-17-8-12-34-13-9-17/h2-6,10,14,17H,7-9,11-13,15H2,1H3,(H,29,33)(H,28,30,32)
InChIKeyVIXXMEQEIOTAHQ-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121417743) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121417743
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)c3c(n2CC2CCOCC2)CCNC3=O)ccn1
InChIInChI=1S/C26H27FN4O3/c1-16(32)30-22-14-19(6-10-28-22)25-23(18-2-4-20(27)5-3-18)24-21(7-11-29-26(24)33)31(25)15-17-8-12-34-13-9-17/h2-6,10,14,17H,7-9,11-13,15H2,1H3,(H,29,33)(H,28,30,32)
InChIKeyVIXXMEQEIOTAHQ-UHFFFAOYSA-N
XLogP4.03
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-3-methylbutanamide
CID 146012424
N-[4-[3-anilino-1-[(4-fluorophenyl)methylsulfonylmethyl]-4-oxo-6,7-dihydro-5H-indol-2-yl]-2-pyridinyl]acetamide
CID 134563214
ethyl 4-[4-(2-acetamido-4-pyridinyl)-5-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-3-yl]piperidine-1-carboxylate
CID 11294662
N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 11373031
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-piperidin-1-ylethyl)imidazol-1-ium-4-yl]-2-pyridinyl]acetamide
CID 11750588
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide
CID 134462843
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
CID 135220632
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
5-fluoro-1-(oxan-4-ylmethyl)benzimidazole-2-carboxylic acid
CID 124926519

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121417743) is N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)c3c(n2CC2CCOCC2)CCNC3=O)ccn1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is VIXXMEQEIOTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-16(32)30-22-14-19(6-10-28-22)25-23(18-2-4-20(27)5-3-18)24-21(7-11-29-26(24)33)31(25)15-17-8-12-34-13-9-17/h2-6,10,14,17H,7-9,11-13,15H2,1H3,(H,29,33)(H,28,30,32).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121417743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).