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

C30H23N5O2 — CID 134305949

IUPAC6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cccnc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C30H23N5O2/c1-37-24-16-14-21(15-17-24)26-28(32-23-13-8-18-31-19-23)33-29-25(20-9-4-2-5-10-20)27(34-35(29)30(26)36)22-11-6-3-7-12-22/h2-19,32,34H,1H3
InChIKeyCAQDDNUTMQDFNV-UHFFFAOYSA-N
MW485.55 g/mol
LogP6.17
Rot. Bonds6

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

6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134305949) has the molecular formula C30H23N5O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134305949
Molecular FormulaC30H23N5O2
Molecular Weight485.55 g/mol
Exact Mass485.19
IUPAC Name6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cccnc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C30H23N5O2/c1-37-24-16-14-21(15-17-24)26-28(32-23-13-8-18-31-19-23)33-29-25(20-9-4-2-5-10-20)27(34-35(29)30(26)36)22-11-6-3-7-12-22/h2-19,32,34H,1H3
InChIKeyCAQDDNUTMQDFNV-UHFFFAOYSA-N
XLogP6.17
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicotinamide
CID 10270022
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
CID 11453381
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
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyrazin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307517
5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVd)
CID 126963299
3-fluoro-N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]benzamide
CID 1452926
N-(2-(4-methoxyphenyl)-1-{[2-(4-pyridinylmethylene)hydrazino]carbonyl}vinyl)benzamide
CID 5341542
N-benzoyl-N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]benzamide
CID 42626077

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134305949) is 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3cccnc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CAQDDNUTMQDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2/c1-37-24-16-14-21(15-17-24)26-28(32-23-13-8-18-31-19-23)33-29-25(20-9-4-2-5-10-20)27(34-35(29)30(26)36)22-11-6-3-7-12-22/h2-19,32,34H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 485.55 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134305949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).