1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide

C19H25N5O2 — CID 124815429

About 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide

1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide (PubChem CID 124815429) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
• PubChem CID: 124815429
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
• SMILES: Cn1cc(C(=O)N[C@H]2CCO[C@@]3(CCN(Cc4ccccn4)C3)C2)cn1
• InChI: InChI=1S/C19H25N5O2/c1-23-12-15(11-21-23)18(25)22-16-5-9-26-19(10-16)6-8-24(14-19)13-17-4-2-3-7-20-17/h2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,22,25)/t16-,19-/m0/s1
• InChIKey: FHTZJHJCWVALEL-LPHOPBHVSA-N
• XLogP: 1.37
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide (CID 124815429) is 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)N[C@H]2CCO[C@@]3(CCN(Cc4ccccn4)C3)C2)cn1.

What is the InChIKey of 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide?

The InChIKey is FHTZJHJCWVALEL-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-12-15(11-21-23)18(25)22-16-5-9-26-19(10-16)6-8-24(14-19)13-17-4-2-3-7-20-17/h2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,22,25)/t16-,19-/m0/s1.

What are the key properties of 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide?

1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 124815429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).