N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide

C26H22FN5O3 — CID 129246548

IUPACN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CNC4)ccn2)cc1F
InChIInChI=1S/C26H22FN5O3/c1-35-21-8-7-16(11-18(21)27)26(34)32-22-12-15(9-10-29-22)24-25(30-17-5-3-2-4-6-17)23-19(31-24)13-28-14-20(23)33/h2-12,28,30-31H,13-14H2,1H3,(H,29,32,34)
InChIKeyLZDPIWDNICBEAF-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.51
Rot. Bonds6

About N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide (PubChem CID 129246548) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide
PubChem CID129246548
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CNC4)ccn2)cc1F
InChIInChI=1S/C26H22FN5O3/c1-35-21-8-7-16(11-18(21)27)26(34)32-22-12-15(9-10-29-22)24-25(30-17-5-3-2-4-6-17)23-19(31-24)13-28-14-20(23)33/h2-12,28,30-31H,13-14H2,1H3,(H,29,32,34)
InChIKeyLZDPIWDNICBEAF-UHFFFAOYSA-N
XLogP4.51
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 129246764
N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide
CID 129246686
N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
CID 129246485
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 118607242
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
cis-(1S,2S)-N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118613218
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
CID 118607107
2-fluoroethyl 2-(2-acetamido-4-pyridinyl)-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246461
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
3-anilino-2-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-N,N,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-6-carboxamide
CID 134563139

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide (CID 129246548) is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CNC4)ccn2)cc1F.
What is the InChIKey of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is LZDPIWDNICBEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-35-21-8-7-16(11-18(21)27)26(34)32-22-12-15(9-10-29-22)24-25(30-17-5-3-2-4-6-17)23-19(31-24)13-28-14-20(23)33/h2-12,28,30-31H,13-14H2,1H3,(H,29,32,34).
What are the key properties of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide?
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 471.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 129246548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).