2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C23H24N6O3 — CID 131672466

IUPAC2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCn1nccc1C(=O)N1CC(c2cccnc2)C2(C1)OCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C23H24N6O3/c1-27-20(7-10-26-27)21(30)29-15-19(17-5-4-8-24-13-17)23(16-29)22(31)28(11-12-32-23)14-18-6-2-3-9-25-18/h2-10,13,19H,11-12,14-16H2,1H3
InChIKeyKGWAXGQHJAUKSD-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 131672466) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID131672466
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCn1nccc1C(=O)N1CC(c2cccnc2)C2(C1)OCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C23H24N6O3/c1-27-20(7-10-26-27)21(30)29-15-19(17-5-4-8-24-13-17)23(16-29)22(31)28(11-12-32-23)14-18-6-2-3-9-25-18/h2-10,13,19H,11-12,14-16H2,1H3
InChIKeyKGWAXGQHJAUKSD-UHFFFAOYSA-N
XLogP1.25
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 131672466) is 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is Cn1nccc1C(=O)N1CC(c2cccnc2)C2(C1)OCCN(Cc1ccccn1)C2=O.
What is the InChIKey of 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is KGWAXGQHJAUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-27-20(7-10-26-27)21(30)29-15-19(17-5-4-8-24-13-17)23(16-29)22(31)28(11-12-32-23)14-18-6-2-3-9-25-18/h2-10,13,19H,11-12,14-16H2,1H3.
What are the key properties of 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 432.48 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131672466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).