(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H26N6 — CID 95720333

IUPAC(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)c1nc(N2CCN3CCCC[C@@H]3C2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6/c1-12(2)15-19-16-14(10-18-21(16)3)17(20-15)23-9-8-22-7-5-4-6-13(22)11-23/h10,12-13H,4-9,11H2,1-3H3/t13-/m1/s1
InChIKeyHSKVCNYAKZWGCM-CYBMUJFWSA-N
MW314.44 g/mol
LogP2.16
Rot. Bonds2

About (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 95720333) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID95720333
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)c1nc(N2CCN3CCCC[C@@H]3C2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6/c1-12(2)15-19-16-14(10-18-21(16)3)17(20-15)23-9-8-22-7-5-4-6-13(22)11-23/h10,12-13H,4-9,11H2,1-3H3/t13-/m1/s1
InChIKeyHSKVCNYAKZWGCM-CYBMUJFWSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 95708844
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95578448
1,6-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816166
(9aS)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56890769
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 80970597
[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969411
9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane
CID 56911277
2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79928912
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 79927344
1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 136551372

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 95720333) is (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC(C)c1nc(N2CCN3CCCC[C@@H]3C2)c2cnn(C)c2n1.
What is the InChIKey of (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is HSKVCNYAKZWGCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N6/c1-12(2)15-19-16-14(10-18-21(16)3)17(20-15)23-9-8-22-7-5-4-6-13(22)11-23/h10,12-13H,4-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 314.44 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 95720333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).