9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H23N5O2 — CID 97408056

IUPAC9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)nn1
InChIInChI=1S/C19H23N5O2/c1-15-4-5-17(22-21-15)23-9-6-19(7-10-23)14-24(18(25)13-26-19)12-16-3-2-8-20-11-16/h2-5,8,11H,6-7,9-10,12-14H2,1H3
InChIKeyTXNZVFLSFSACCI-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.58
Rot. Bonds3

About 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97408056) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97408056
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)nn1
InChIInChI=1S/C19H23N5O2/c1-15-4-5-17(22-21-15)23-9-6-19(7-10-23)14-24(18(25)13-26-19)12-16-3-2-8-20-11-16/h2-5,8,11H,6-7,9-10,12-14H2,1H3
InChIKeyTXNZVFLSFSACCI-UHFFFAOYSA-N
XLogP1.58
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396368
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 134073634
N,N-dimethyl-2-[10-oxo-3-(pyridin-3-ylmethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 155503725
4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138382256
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97385532
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97408056) is 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)nn1.
What is the InChIKey of 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is TXNZVFLSFSACCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-15-4-5-17(22-21-15)23-9-6-19(7-10-23)14-24(18(25)13-26-19)12-16-3-2-8-20-11-16/h2-5,8,11H,6-7,9-10,12-14H2,1H3.
What are the key properties of 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 353.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97408056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).