[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C17H18N6O — CID 127246156

IUPAC[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCc1cncc(C2CCCN(C(=O)c3cnn4cccnc34)C2)n1
InChIInChI=1S/C17H18N6O/c1-12-8-18-10-15(21-12)13-4-2-6-22(11-13)17(24)14-9-20-23-7-3-5-19-16(14)23/h3,5,7-10,13H,2,4,6,11H2,1H3
InChIKeyRLJJQPBZNSKTJG-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.85
Rot. Bonds2

About [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 127246156) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID127246156
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCc1cncc(C2CCCN(C(=O)c3cnn4cccnc34)C2)n1
InChIInChI=1S/C17H18N6O/c1-12-8-18-10-15(21-12)13-4-2-6-22(11-13)17(24)14-9-20-23-7-3-5-19-16(14)23/h3,5,7-10,13H,2,4,6,11H2,1H3
InChIKeyRLJJQPBZNSKTJG-UHFFFAOYSA-N
XLogP1.85
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone with MolForge

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Related Compounds

[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541
1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 127246140
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969786
[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969785
3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124971956
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110113145
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514397
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124993388

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 127246156) is [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is Cc1cncc(C2CCCN(C(=O)c3cnn4cccnc34)C2)n1.
What is the InChIKey of [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is RLJJQPBZNSKTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-8-18-10-15(21-12)13-4-2-6-22(11-13)17(24)14-9-20-23-7-3-5-19-16(14)23/h3,5,7-10,13H,2,4,6,11H2,1H3.
What are the key properties of [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 127246156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).