4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one

C24H24N4O — CID 71039147

IUPAC4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4C[C@@H]4CCCN4)c3)c(=O)c2)cc1
InChIInChI=1S/C24H24N4O/c1-17-4-6-18(7-5-17)19-10-12-27(24(29)14-19)22-8-9-23-20(13-22)15-26-28(23)16-21-3-2-11-25-21/h4-10,12-15,21,25H,2-3,11,16H2,1H3/t21-/m0/s1
InChIKeyBSFRMUDHXVELRO-NRFANRHFSA-N
MW384.48 g/mol
LogP3.91
Rot. Bonds4

About 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one

4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one (PubChem CID 71039147) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
PubChem CID71039147
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4C[C@@H]4CCCN4)c3)c(=O)c2)cc1
InChIInChI=1S/C24H24N4O/c1-17-4-6-18(7-5-17)19-10-12-27(24(29)14-19)22-8-9-23-20(13-22)15-26-28(23)16-21-3-2-11-25-21/h4-10,12-15,21,25H,2-3,11,16H2,1H3/t21-/m0/s1
InChIKeyBSFRMUDHXVELRO-NRFANRHFSA-N
XLogP3.91
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 121271792
N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 150533442
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
CID 24791863
(S)-4-(benzyloxy)-1-(1-(pyrrolidin-2-ylmethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054804
4-(4-chlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205149
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205152

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one (CID 71039147) is 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c(cnn4C[C@@H]4CCCN4)c3)c(=O)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
The InChIKey is BSFRMUDHXVELRO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-4-6-18(7-5-17)19-10-12-27(24(29)14-19)22-8-9-23-20(13-22)15-26-28(23)16-21-3-2-11-25-21/h4-10,12-15,21,25H,2-3,11,16H2,1H3/t21-/m0/s1.
What are the key properties of 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one has a molecular weight of 384.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 71039147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).