(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C17H20N6O2 — CID 154798415

IUPAC(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCc1ccn2cc(CNC(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)nc2n1
InChIInChI=1S/C17H20N6O2/c1-9-4-5-23-8-12(20-17(23)19-9)7-18-16(24)15-13-6-10(2)25-11(3)14(13)21-22-15/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,24)(H,21,22)/t10-,11+/m1/s1
InChIKeyZVGGMUOHGAKQJE-MNOVXSKESA-N
MW340.39 g/mol
LogP1.71
Rot. Bonds3

About (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 154798415) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID154798415
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCc1ccn2cc(CNC(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)nc2n1
InChIInChI=1S/C17H20N6O2/c1-9-4-5-23-8-12(20-17(23)19-9)7-18-16(24)15-13-6-10(2)25-11(3)14(13)21-22-15/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,24)(H,21,22)/t10-,11+/m1/s1
InChIKeyZVGGMUOHGAKQJE-MNOVXSKESA-N
XLogP1.71
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 154798415) is (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is Cc1ccn2cc(CNC(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)nc2n1.
What is the InChIKey of (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is ZVGGMUOHGAKQJE-MNOVXSKESA-N. The full InChI is InChI=1S/C17H20N6O2/c1-9-4-5-23-8-12(20-17(23)19-9)7-18-16(24)15-13-6-10(2)25-11(3)14(13)21-22-15/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,24)(H,21,22)/t10-,11+/m1/s1.
What are the key properties of (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 154798415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).