cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide

C23H22FN5O4S — CID 154976293

IUPACcis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
SMILESCS(=O)(=O)n1c2c(c(Nc3ccccc3)c1-c1ccnc(NC(=O)[C@@H]3C[C@@H]3F)c1)C(=O)CNC2
InChIInChI=1S/C23H22FN5O4S/c1-34(32,33)29-17-11-25-12-18(30)20(17)21(27-14-5-3-2-4-6-14)22(29)13-7-8-26-19(9-13)28-23(31)15-10-16(15)24/h2-9,15-16,25,27H,10-12H2,1H3,(H,26,28,31)/t15-,16+/m1/s1
InChIKeyJQBLKTZPDSAOSP-CVEARBPZSA-N
MW483.53 g/mol
LogP2.68
Rot. Bonds6

About cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 154976293) has the molecular formula C23H22FN5O4S and a molecular weight of 483.53 g/mol. Its IUPAC name is cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
PubChem CID154976293
Molecular FormulaC23H22FN5O4S
Molecular Weight483.53 g/mol
Exact Mass483.14
IUPAC Namecis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
SMILESCS(=O)(=O)n1c2c(c(Nc3ccccc3)c1-c1ccnc(NC(=O)[C@@H]3C[C@@H]3F)c1)C(=O)CNC2
InChIInChI=1S/C23H22FN5O4S/c1-34(32,33)29-17-11-25-12-18(30)20(17)21(27-14-5-3-2-4-6-14)22(29)13-7-8-26-19(9-13)28-23(31)15-10-16(15)24/h2-9,15-16,25,27H,10-12H2,1H3,(H,26,28,31)/t15-,16+/m1/s1
InChIKeyJQBLKTZPDSAOSP-CVEARBPZSA-N
XLogP2.68
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079
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
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
(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-1-[(4-fluorophenyl)methylsulfonylmethyl]-4-oxo-6,7-dihydro-5H-indol-2-yl]-2-pyridinyl]acetamide
CID 134563214
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
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
N-[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607092
N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607032
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
cis-(1S,2S)-N-[4-[3-benzyl-6-(cyclopropanecarbonyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 159746949
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide
CID 118606720

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide (CID 154976293) is cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide is CS(=O)(=O)n1c2c(c(Nc3ccccc3)c1-c1ccnc(NC(=O)[C@@H]3C[C@@H]3F)c1)C(=O)CNC2.
What is the InChIKey of cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is JQBLKTZPDSAOSP-CVEARBPZSA-N. The full InChI is InChI=1S/C23H22FN5O4S/c1-34(32,33)29-17-11-25-12-18(30)20(17)21(27-14-5-3-2-4-6-14)22(29)13-7-8-26-19(9-13)28-23(31)15-10-16(15)24/h2-9,15-16,25,27H,10-12H2,1H3,(H,26,28,31)/t15-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[4-(3-anilino-1-methylsulfonyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 154976293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).