4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one

C23H24ClN5O2 — CID 90682489

IUPAC4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one
SMILESCn1ncc(C(=O)N2[C@@H]3CC[C@H]2CC(Nc2cc(-c4ccccc4)[nH]c(=O)c2)C3)c1Cl
InChIInChI=1S/C23H24ClN5O2/c1-28-22(24)19(13-25-28)23(31)29-17-7-8-18(29)10-15(9-17)26-16-11-20(27-21(30)12-16)14-5-3-2-4-6-14/h2-6,11-13,15,17-18H,7-10H2,1H3,(H2,26,27,30)/t15?,17-,18+
InChIKeyWRVFXPZXOQOKNP-ZNXRZULTSA-N
MW437.93 g/mol
LogP3.68
Rot. Bonds4

About 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one

4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one (PubChem CID 90682489) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one
PubChem CID90682489
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one
SMILESCn1ncc(C(=O)N2[C@@H]3CC[C@H]2CC(Nc2cc(-c4ccccc4)[nH]c(=O)c2)C3)c1Cl
InChIInChI=1S/C23H24ClN5O2/c1-28-22(24)19(13-25-28)23(31)29-17-7-8-18(29)10-15(9-17)26-16-11-20(27-21(30)12-16)14-5-3-2-4-6-14/h2-6,11-13,15,17-18H,7-10H2,1H3,(H2,26,27,30)/t15?,17-,18+
InChIKeyWRVFXPZXOQOKNP-ZNXRZULTSA-N
XLogP3.68
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 90644461
2(1H)-Quinolinone, 4-[[1-[(5-chloro-1-methyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl]amino]-6-fluoro-
CID 90644462
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
CID 90644463
4-[[1-(5-Chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1-methylquinolin-2-one
CID 90644464
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-7-fluoro-1H-quinolin-2-one
CID 90682303
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-8-fluoro-1H-quinolin-2-one
CID 90682304
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-7,8-difluoro-1H-quinolin-2-one
CID 90682305
4-[[(2S,4R)-1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-2-methyl-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682472
4-[[(1R,5S)-8-(5-chloro-1-methyl-pyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682474
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682480

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one (CID 90682489) is 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one is Cn1ncc(C(=O)N2[C@@H]3CC[C@H]2CC(Nc2cc(-c4ccccc4)[nH]c(=O)c2)C3)c1Cl.
What is the InChIKey of 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one?
The InChIKey is WRVFXPZXOQOKNP-ZNXRZULTSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-28-22(24)19(13-25-28)23(31)29-17-7-8-18(29)10-15(9-17)26-16-11-20(27-21(30)12-16)14-5-3-2-4-6-14/h2-6,11-13,15,17-18H,7-10H2,1H3,(H2,26,27,30)/t15?,17-,18+.
What are the key properties of 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one?
4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one has a molecular weight of 437.93 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 90682489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).