N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide

C21H26N6O3 — CID 165427709

About N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide

N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide (PubChem CID 165427709) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide
• PubChem CID: 165427709
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide
• SMILES: CN(C(=O)c1cnccn1)[C@H]1C[C@H]2CCN(C(=O)c3n[nH]c4c3COCC4)C[C@H]2C1
• InChI: InChI=1S/C21H26N6O3/c1-26(20(28)18-10-22-4-5-23-18)15-8-13-2-6-27(11-14(13)9-15)21(29)19-16-12-30-7-3-17(16)24-25-19/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3,(H,24,25)/t13-,14-,15+/m1/s1
• InChIKey: WWPRGSBLCGEDPE-KFWWJZLASA-N
• XLogP: 1.29
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide?

The IUPAC name of N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide (CID 165427709) is N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide.

What is the SMILES notation for N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide?

The canonical SMILES for N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnccn1)[C@H]1C[C@H]2CCN(C(=O)c3n[nH]c4c3COCC4)C[C@H]2C1.

What is the InChIKey of N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide?

The InChIKey is WWPRGSBLCGEDPE-KFWWJZLASA-N. The full InChI is InChI=1S/C21H26N6O3/c1-26(20(28)18-10-22-4-5-23-18)15-8-13-2-6-27(11-14(13)9-15)21(29)19-16-12-30-7-3-17(16)24-25-19/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3,(H,24,25)/t13-,14-,15+/m1/s1.

What are the key properties of N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide?

N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 165427709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).