3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C30H25N7O — CID 134305904

IUPAC3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ncccc3c2)c(Nc2ccn[nH]2)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C30H25N7O/c38-30-26(22-13-14-23-21(18-22)12-7-16-31-23)28(33-24-15-17-32-35-24)34-29-25(19-8-3-1-4-9-19)27(36-37(29)30)20-10-5-2-6-11-20/h2,5-8,10-18,36H,1,3-4,9H2,(H2,32,33,35)
InChIKeyDQDMZBHHFFAAPF-UHFFFAOYSA-N
MW499.58 g/mol
LogP6.33
Rot. Bonds5

About 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134305904) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134305904
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC Name3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ncccc3c2)c(Nc2ccn[nH]2)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C30H25N7O/c38-30-26(22-13-14-23-21(18-22)12-7-16-31-23)28(33-24-15-17-32-35-24)34-29-25(19-8-3-1-4-9-19)27(36-37(29)30)20-10-5-2-6-11-20/h2,5-8,10-18,36H,1,3-4,9H2,(H2,32,33,35)
InChIKeyDQDMZBHHFFAAPF-UHFFFAOYSA-N
XLogP6.33
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[5-(quinolin-8-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 23645985
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CID 23657635
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-[2-Phenyl-4-(1h-Pyrazol-3-Ylamino)quinazolin-7-Yl]prop-2-Enamide
CID 49867019
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11156698
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11432183
N-[1-[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11669959
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(5-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11785754
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074
1-(4-(1H-pyrazol-1-yl)phenyl)-3-(2-aminoquinazolin-6-yl)-4-methylpyridin-2(1H)-one
CID 24879245
2-[4-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 44529771

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134305904) is 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccc3ncccc3c2)c(Nc2ccn[nH]2)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DQDMZBHHFFAAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c38-30-26(22-13-14-23-21(18-22)12-7-16-31-23)28(33-24-15-17-32-35-24)34-29-25(19-8-3-1-4-9-19)27(36-37(29)30)20-10-5-2-6-11-20/h2,5-8,10-18,36H,1,3-4,9H2,(H2,32,33,35).
What are the key properties of 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 499.58 g/mol, XLogP of 6.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134305904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).