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

C17H19N7O — CID 110113145

IUPAC[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESNc1nccnc1CC1CCCN(C(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C17H19N7O/c18-15-14(19-5-6-20-15)9-12-3-1-7-23(11-12)17(25)13-10-22-24-8-2-4-21-16(13)24/h2,4-6,8,10,12H,1,3,7,9,11H2,(H2,18,20)
InChIKeyITRIIOFSYJLFKS-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.20
Rot. Bonds3

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

[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 110113145) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID110113145
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESNc1nccnc1CC1CCCN(C(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C17H19N7O/c18-15-14(19-5-6-20-15)9-12-3-1-7-23(11-12)17(25)13-10-22-24-8-2-4-21-16(13)24/h2,4-6,8,10,12H,1,3,7,9,11H2,(H2,18,20)
InChIKeyITRIIOFSYJLFKS-UHFFFAOYSA-N
XLogP1.20
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 125008934
[(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-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70763450
3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56896634
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[3-(fluoromethyl)azetidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 121188842
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127246156
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110113168
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97018374

Frequently Asked Questions

What is the IUPAC name of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 110113145) is [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is Nc1nccnc1CC1CCCN(C(=O)c2cnn3cccnc23)C1.
What is the InChIKey of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is ITRIIOFSYJLFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c18-15-14(19-5-6-20-15)9-12-3-1-7-23(11-12)17(25)13-10-22-24-8-2-4-21-16(13)24/h2,4-6,8,10,12H,1,3,7,9,11H2,(H2,18,20).
What are the key properties of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 337.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 110113145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).