N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H15N5O2 — CID 3071408

IUPACN-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3ccn(-c4ccccc4)n3c2=O)c1
InChIInChI=1S/C19H15N5O2/c1-13-7-9-20-16(11-13)22-18(25)15-12-21-17-8-10-23(24(17)19(15)26)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22,25)
InChIKeyHSXMRUFAEKTPGR-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.44
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3071408) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3071408
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3ccn(-c4ccccc4)n3c2=O)c1
InChIInChI=1S/C19H15N5O2/c1-13-7-9-20-16(11-13)22-18(25)15-12-21-17-8-10-23(24(17)19(15)26)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22,25)
InChIKeyHSXMRUFAEKTPGR-UHFFFAOYSA-N
XLogP2.44
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3071408) is N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1ccnc(NC(=O)c2cnc3ccn(-c4ccccc4)n3c2=O)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HSXMRUFAEKTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-13-7-9-20-16(11-13)22-18(25)15-12-21-17-8-10-23(24(17)19(15)26)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22,25).
What are the key properties of N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3071408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).