6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C29H28N6O2 — CID 134306072

IUPAC6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccccn3)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C29H28N6O2/c1-37-22-15-13-20(14-16-22)24-27(31-23-12-6-7-17-30-23)32-28-26(34-18-8-3-9-19-34)25(33-35(28)29(24)36)21-10-4-2-5-11-21/h2,4-7,10-17,33H,3,8-9,18-19H2,1H3,(H,30,31)
InChIKeyNWONZRXPTMRXRE-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.49
Rot. Bonds6

About 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134306072) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134306072
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccccn3)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C29H28N6O2/c1-37-22-15-13-20(14-16-22)24-27(31-23-12-6-7-17-30-23)32-28-26(34-18-8-3-9-19-34)25(33-35(28)29(24)36)21-10-4-2-5-11-21/h2,4-7,10-17,33H,3,8-9,18-19H2,1H3,(H,30,31)
InChIKeyNWONZRXPTMRXRE-UHFFFAOYSA-N
XLogP5.49
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 9823206
N3-(4-Methoxybenzoyl)-N2-[1-(4-pyridyl)-piperidin-4-ylmethyl]-2,3-pyridinediamine
CID 9825165
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179
6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicotinamide
CID 10270022
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-N-(4-methoxybenzyl)-2-methylpiperazine-1-carboxamide
CID 16662875
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830706
7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016887
N-[(4-methoxyphenyl)methyl]-6-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]hexanamide
CID 71061750

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134306072) is 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccccn3)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NWONZRXPTMRXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-37-22-15-13-20(14-16-22)24-27(31-23-12-6-7-17-30-23)32-28-26(34-18-8-3-9-19-34)25(33-35(28)29(24)36)21-10-4-2-5-11-21/h2,4-7,10-17,33H,3,8-9,18-19H2,1H3,(H,30,31).
What are the key properties of 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 492.58 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134306072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).