(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

C17H22N6O2 — CID 97387634

IUPAC(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESCn1cc(CN2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-6-12(4-20-22)7-23-8-13-10-25-11-15(14(13)9-23)17(24)21-16-5-18-2-3-19-16/h2-6,13-15H,7-11H2,1H3,(H,19,21,24)/t13-,14-,15+/m1/s1
InChIKeyAIDBGNIQKCXSAI-KFWWJZLASA-N
MW342.40 g/mol
LogP0.54
Rot. Bonds4

About (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (PubChem CID 97387634) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.

Molecular Properties

Compound Name(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
PubChem CID97387634
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESCn1cc(CN2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-6-12(4-20-22)7-23-8-13-10-25-11-15(14(13)9-23)17(24)21-16-5-18-2-3-19-16/h2-6,13-15H,7-11H2,1H3,(H,19,21,24)/t13-,14-,15+/m1/s1
InChIKeyAIDBGNIQKCXSAI-KFWWJZLASA-N
XLogP0.54
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R,4aR,8aR)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388715
(3aR,7S,7aR)-2-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97949832
(3aR,7R,7aR)-2-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97950059
(3aS,7S,7aS)-2-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 124782722
(4R,4aS,8aR)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367214
(3aR,7S,7aR)-N-pyrazin-2-yl-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97386909
(2S,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388601
(3aR,7S,7aR)-N-pyrazin-2-yl-2-pyrimidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97408165
(3R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 97486069
(3aR,7S,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97949830
(3aR,7R,7aR)-N-pyrazin-2-yl-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97950058
(3aS,7S,7aS)-N-pyrazin-2-yl-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 124781757

Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The IUPAC name of (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (CID 97387634) is (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.
What is the SMILES notation for (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The canonical SMILES for (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is Cn1cc(CN2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1.
What is the InChIKey of (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The InChIKey is AIDBGNIQKCXSAI-KFWWJZLASA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-6-12(4-20-22)7-23-8-13-10-25-11-15(14(13)9-23)17(24)21-16-5-18-2-3-19-16/h2-6,13-15H,7-11H2,1H3,(H,19,21,24)/t13-,14-,15+/m1/s1.
What are the key properties of (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is sourced from PubChem (CID 97387634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).