3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine

C16H18N6 — CID 58303582

IUPAC3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(-c3cncc(C[C@@H]4CCCNC4)n3)cnn2c1
InChIInChI=1S/C16H18N6/c1-3-12(8-17-4-1)7-13-9-18-11-15(21-13)14-10-20-22-6-2-5-19-16(14)22/h2,5-6,9-12,17H,1,3-4,7-8H2/t12-/m0/s1
InChIKeyKIIXGPLAOLKFCU-LBPRGKRZSA-N
MW294.36 g/mol
LogP1.73
Rot. Bonds3

About 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine

3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 58303582) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID58303582
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(-c3cncc(C[C@@H]4CCCNC4)n3)cnn2c1
InChIInChI=1S/C16H18N6/c1-3-12(8-17-4-1)7-13-9-18-11-15(21-13)14-10-20-22-6-2-5-19-16(14)22/h2,5-6,9-12,17H,1,3-4,7-8H2/t12-/m0/s1
InChIKeyKIIXGPLAOLKFCU-LBPRGKRZSA-N
XLogP1.73
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride
CID 142763409
2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
CID 125014329
N-[(3R)-piperidin-3-yl]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-amine
CID 58303584
2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 110131736
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(piperidin-3-ylmethoxy)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine;molecular hydrogen
CID 159284171
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142765504
3-(4-fluoro-6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridine
CID 175682038
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136994
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 58303582) is 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine is c1cnc2c(-c3cncc(C[C@@H]4CCCNC4)n3)cnn2c1.
What is the InChIKey of 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KIIXGPLAOLKFCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N6/c1-3-12(8-17-4-1)7-13-9-18-11-15(21-13)14-10-20-22-6-2-5-19-16(14)22/h2,5-6,9-12,17H,1,3-4,7-8H2/t12-/m0/s1.
What are the key properties of 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58303582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).