N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide

C30H23N5O2 — CID 134307521

IUPACN-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCOc1c(-c2ccc3ncccc3c2)c(NC(C)=O)nc2c(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C30H23N5O2/c1-19(36)32-28-26(23-15-16-24-22(18-23)14-9-17-31-24)30(37-2)35-29(33-28)25(20-10-5-3-6-11-20)27(34-35)21-12-7-4-8-13-21/h3-18H,1-2H3,(H,32,33,36)
InChIKeyBMHBVZPVUQRONT-UHFFFAOYSA-N
MW485.55 g/mol
LogP6.25
Rot. Bonds5

About N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide

N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide (PubChem CID 134307521) has the molecular formula C30H23N5O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide
PubChem CID134307521
Molecular FormulaC30H23N5O2
Molecular Weight485.55 g/mol
Exact Mass485.19
IUPAC NameN-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCOc1c(-c2ccc3ncccc3c2)c(NC(C)=O)nc2c(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C30H23N5O2/c1-19(36)32-28-26(23-15-16-24-22(18-23)14-9-17-31-24)30(37-2)35-29(33-28)25(20-10-5-3-6-11-20)27(34-35)21-12-7-4-8-13-21/h3-18H,1-2H3,(H,32,33,36)
InChIKeyBMHBVZPVUQRONT-UHFFFAOYSA-N
XLogP6.25
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide (CID 134307521) is N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide is COc1c(-c2ccc3ncccc3c2)c(NC(C)=O)nc2c(-c3ccccc3)c(-c3ccccc3)nn12.
What is the InChIKey of N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide?
The InChIKey is BMHBVZPVUQRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2/c1-19(36)32-28-26(23-15-16-24-22(18-23)14-9-17-31-24)30(37-2)35-29(33-28)25(20-10-5-3-6-11-20)27(34-35)21-12-7-4-8-13-21/h3-18H,1-2H3,(H,32,33,36).
What are the key properties of N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide?
N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide has a molecular weight of 485.55 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 134307521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).