9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C18H20N6O3 — CID 131687031

About 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131687031) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 131687031
• Molecular Formula: C18H20N6O3
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.16
• IUPAC Name: 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: O=C(NCc1ccncc1)C1=NOC2(CCCN(C(=O)c3ccn[nH]3)C2)C1
• InChI: InChI=1S/C18H20N6O3/c25-16(20-11-13-2-6-19-7-3-13)15-10-18(27-23-15)5-1-9-24(12-18)17(26)14-4-8-21-22-14/h2-4,6-8H,1,5,9-12H2,(H,20,25)(H,21,22)
• InChIKey: UJTIXFBKVUKXLL-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 112.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131687031) is 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCc1ccncc1)C1=NOC2(CCCN(C(=O)c3ccn[nH]3)C2)C1.

What is the InChIKey of 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is UJTIXFBKVUKXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-16(20-11-13-2-6-19-7-3-13)15-10-18(27-23-15)5-1-9-24(12-18)17(26)14-4-8-21-22-14/h2-4,6-8H,1,5,9-12H2,(H,20,25)(H,21,22).

What are the key properties of 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1H-pyrazole-5-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131687031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).