2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C18H15N5O — CID 110863548

IUPAC2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3cccc4cccnc34)cc(C)n2n1
InChIInChI=1S/C18H15N5O/c1-11-9-16-20-15(10-12(2)23(16)22-11)18(24)21-14-7-3-5-13-6-4-8-19-17(13)14/h3-10H,1-2H3,(H,21,24)
InChIKeyAVSGZFXHKXCUPJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.15
Rot. Bonds2

About 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 110863548) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID110863548
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3cccc4cccnc34)cc(C)n2n1
InChIInChI=1S/C18H15N5O/c1-11-9-16-20-15(10-12(2)23(16)22-11)18(24)21-14-7-3-5-13-6-4-8-19-17(13)14/h3-10H,1-2H3,(H,21,24)
InChIKeyAVSGZFXHKXCUPJ-UHFFFAOYSA-N
XLogP3.15
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109319423
6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
6-N,6-N-diethyl-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109099049
5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 110863548) is 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)Nc3cccc4cccnc34)cc(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is AVSGZFXHKXCUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-9-16-20-15(10-12(2)23(16)22-11)18(24)21-14-7-3-5-13-6-4-8-19-17(13)14/h3-10H,1-2H3,(H,21,24).
What are the key properties of 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 110863548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).