N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

C23H26FN3O2 — CID 71839414

IUPACN-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESO=C(CC1c2ncccc2C(=O)N1Cc1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C23H26FN3O2/c24-17-11-9-16(10-12-17)15-27-20(22-19(23(27)29)8-5-13-25-22)14-21(28)26-18-6-3-1-2-4-7-18/h5,8-13,18,20H,1-4,6-7,14-15H2,(H,26,28)
InChIKeyAIGIWVAQTGQHLD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.15
Rot. Bonds5

About N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (PubChem CID 71839414) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
PubChem CID71839414
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESO=C(CC1c2ncccc2C(=O)N1Cc1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C23H26FN3O2/c24-17-11-9-16(10-12-17)15-27-20(22-19(23(27)29)8-5-13-25-22)14-21(28)26-18-6-3-1-2-4-7-18/h5,8-13,18,20H,1-4,6-7,14-15H2,(H,26,28)
InChIKeyAIGIWVAQTGQHLD-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[6-(4-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 53201079
2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-(1-phenylethyl)acetamide
CID 71839418
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
CID 53201076
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460
N-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)acetamide
CID 121288670
methyl 4-[[(7S)-6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713801
7-(3-chloroanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582054
ethyl 2-[[(7S)-6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713811
N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360158
7-(2,4-dibromoanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20866747
(7S)-6-[(4-fluorophenyl)methyl]-7-[3-(trifluoromethyl)anilino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713711
2-[(3S)-6-chloro-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cyclopentylacetamide
CID 95055925

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (CID 71839414) is N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is O=C(CC1c2ncccc2C(=O)N1Cc1ccc(F)cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The InChIKey is AIGIWVAQTGQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-17-11-9-16(10-12-17)15-27-20(22-19(23(27)29)8-5-13-25-22)14-21(28)26-18-6-3-1-2-4-7-18/h5,8-13,18,20H,1-4,6-7,14-15H2,(H,26,28).
What are the key properties of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 71839414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).