N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide

C31H23N5O2 — CID 134307197

IUPACN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1)C1CC1
InChIInChI=1S/C31H23N5O2/c37-30(21-13-14-21)34-28-26(23-15-16-24-22(18-23)12-7-17-32-24)31(38)36-29(33-28)25(19-8-3-1-4-9-19)27(35-36)20-10-5-2-6-11-20/h1-12,15-18,21,35H,13-14H2,(H,34,37)
InChIKeyBULCYCIXIRHPBC-UHFFFAOYSA-N
MW497.56 g/mol
LogP5.92
Rot. Bonds5

About N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide

N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide (PubChem CID 134307197) has the molecular formula C31H23N5O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide
PubChem CID134307197
Molecular FormulaC31H23N5O2
Molecular Weight497.56 g/mol
Exact Mass497.19
IUPAC NameN-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1)C1CC1
InChIInChI=1S/C31H23N5O2/c37-30(21-13-14-21)34-28-26(23-15-16-24-22(18-23)12-7-17-32-24)31(38)36-29(33-28)25(19-8-3-1-4-9-19)27(35-36)20-10-5-2-6-11-20/h1-12,15-18,21,35H,13-14H2,(H,34,37)
InChIKeyBULCYCIXIRHPBC-UHFFFAOYSA-N
XLogP5.92
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide (CID 134307197) is N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide is O=C(Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1)C1CC1.
What is the InChIKey of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide?
The InChIKey is BULCYCIXIRHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O2/c37-30(21-13-14-21)34-28-26(23-15-16-24-22(18-23)12-7-17-32-24)31(38)36-29(33-28)25(19-8-3-1-4-9-19)27(35-36)20-10-5-2-6-11-20/h1-12,15-18,21,35H,13-14H2,(H,34,37).
What are the key properties of N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide?
N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide has a molecular weight of 497.56 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 134307197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).