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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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).