N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H24N6O — CID 56752808

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)cc2n1
InChIInChI=1S/C17H24N6O/c1-11-6-12(2)23-16(18-11)8-15(20-23)17(24)19-13-7-14-10-21(3)4-5-22(14)9-13/h6,8,13-14H,4-5,7,9-10H2,1-3H3,(H,19,24)/t13-,14-/m0/s1
InChIKeyJPLRZBIHJHJBTG-KBPBESRZSA-N
MW328.42 g/mol
LogP0.46
Rot. Bonds2

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 56752808) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID56752808
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)cc2n1
InChIInChI=1S/C17H24N6O/c1-11-6-12(2)23-16(18-11)8-15(20-23)17(24)19-13-7-14-10-21(3)4-5-22(14)9-13/h6,8,13-14H,4-5,7,9-10H2,1-3H3,(H,19,24)/t13-,14-/m0/s1
InChIKeyJPLRZBIHJHJBTG-KBPBESRZSA-N
XLogP0.46
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 56752808) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)cc2n1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JPLRZBIHJHJBTG-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-6-12(2)23-16(18-11)8-15(20-23)17(24)19-13-7-14-10-21(3)4-5-22(14)9-13/h6,8,13-14H,4-5,7,9-10H2,1-3H3,(H,19,24)/t13-,14-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 56752808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).