6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C30H35N5O2 — CID 162719065

IUPAC6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1N1CCCC1
InChIInChI=1S/C30H35N5O2/c1-21-24(19-22-13-14-26(37-2)25(20-22)33-15-9-10-16-33)30(36)35-29(31-21)28(34-17-7-4-8-18-34)27(32-35)23-11-5-3-6-12-23/h3,5-6,11-14,20,32H,4,7-10,15-19H2,1-2H3
InChIKeyONKMMSCZUUYLHM-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.19
Rot. Bonds6

About 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 162719065) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID162719065
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1N1CCCC1
InChIInChI=1S/C30H35N5O2/c1-21-24(19-22-13-14-26(37-2)25(20-22)33-15-9-10-16-33)30(36)35-29(31-21)28(34-17-7-4-8-18-34)27(32-35)23-11-5-3-6-12-23/h3,5-6,11-14,20,32H,4,7-10,15-19H2,1-2H3
InChIKeyONKMMSCZUUYLHM-UHFFFAOYSA-N
XLogP5.19
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719025
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307506
6-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719029
N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
CID 134307222
6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157439431
[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 167055429
3-(5-azaspiro[2.4]heptan-5-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719134
6-benzyl-2,5-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155184493
6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1370222
3-(3,3-difluoropyrrolidin-1-yl)-5-methyl-6-naphthalen-2-yl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134365015
6-benzyl-2-[(2-methoxyanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50748800
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 162719065) is 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(Cc2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1N1CCCC1.
What is the InChIKey of 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ONKMMSCZUUYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-21-24(19-22-13-14-26(37-2)25(20-22)33-15-9-10-16-33)30(36)35-29(31-21)28(34-17-7-4-8-18-34)27(32-35)23-11-5-3-6-12-23/h3,5-6,11-14,20,32H,4,7-10,15-19H2,1-2H3.
What are the key properties of 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 497.64 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 162719065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).