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

C17H24N6O2 — CID 56759726

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CCN2C[C@@H](NC(=O)c3cc4ncc(CCO)cn4n3)C[C@H]2C1
InChIInChI=1S/C17H24N6O2/c1-21-3-4-22-10-13(6-14(22)11-21)19-17(25)15-7-16-18-8-12(2-5-24)9-23(16)20-15/h7-9,13-14,24H,2-6,10-11H2,1H3,(H,19,25)/t13-,14-/m0/s1
InChIKeyQVJNQSONESWDSL-KBPBESRZSA-N
MW344.42 g/mol
LogP-0.62
Rot. Bonds4

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-(2-hydroxyethyl)pyrazolo[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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 56759726) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 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]-6-(2-hydroxyethyl)pyrazolo[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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID56759726
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CCN2C[C@@H](NC(=O)c3cc4ncc(CCO)cn4n3)C[C@H]2C1
InChIInChI=1S/C17H24N6O2/c1-21-3-4-22-10-13(6-14(22)11-21)19-17(25)15-7-16-18-8-12(2-5-24)9-23(16)20-15/h7-9,13-14,24H,2-6,10-11H2,1H3,(H,19,25)/t13-,14-/m0/s1
InChIKeyQVJNQSONESWDSL-KBPBESRZSA-N
XLogP-0.62
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US10155765, Example 31
CID 121493987
US10155765, Example 2
CID 122540793
US10155765, Example 23
CID 122540818
US10155765, Example 26
CID 122515243
US9649308, Example 38
CID 122515252
US10155765, Example 15
CID 122515261
US10155765, Example 27
CID 122515263
US10155765, Example 47
CID 122515272
US10155765, Example 16
CID 122540786
US10155765, Example 10
CID 122540791
US10155765, Example 17
CID 122540819
US9649308, Example 19
CID 122540833

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]-6-(2-hydroxyethyl)pyrazolo[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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 56759726) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-(2-hydroxyethyl)pyrazolo[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]-6-(2-hydroxyethyl)pyrazolo[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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN1CCN2C[C@@H](NC(=O)c3cc4ncc(CCO)cn4n3)C[C@H]2C1.
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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QVJNQSONESWDSL-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21-3-4-22-10-13(6-14(22)11-21)19-17(25)15-7-16-18-8-12(2-5-24)9-23(16)20-15/h7-9,13-14,24H,2-6,10-11H2,1H3,(H,19,25)/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]-6-(2-hydroxyethyl)pyrazolo[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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 56759726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).