(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone

C24H26N6OS — CID 45488800

IUPAC(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCC3(CCN(C)C3)C2)cnn1-c1ncc2c(n1)-c1ccccc1SC2
InChIInChI=1S/C24H26N6OS/c1-16-19(22(31)29-10-8-24(15-29)7-9-28(2)14-24)12-26-30(16)23-25-11-17-13-32-20-6-4-3-5-18(20)21(17)27-23/h3-6,11-12H,7-10,13-15H2,1-2H3
InChIKeyLQWIOQJOXOTZQA-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.41
Rot. Bonds2

About (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone

(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone (PubChem CID 45488800) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone
PubChem CID45488800
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCC3(CCN(C)C3)C2)cnn1-c1ncc2c(n1)-c1ccccc1SC2
InChIInChI=1S/C24H26N6OS/c1-16-19(22(31)29-10-8-24(15-29)7-9-28(2)14-24)12-26-30(16)23-25-11-17-13-32-20-6-4-3-5-18(20)21(17)27-23/h3-6,11-12H,7-10,13-15H2,1-2H3
InChIKeyLQWIOQJOXOTZQA-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone?
The IUPAC name of (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone (CID 45488800) is (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone.
What is the SMILES notation for (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone?
The canonical SMILES for (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone is Cc1c(C(=O)N2CCC3(CCN(C)C3)C2)cnn1-c1ncc2c(n1)-c1ccccc1SC2.
What is the InChIKey of (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone?
The InChIKey is LQWIOQJOXOTZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-16-19(22(31)29-10-8-24(15-29)7-9-28(2)14-24)12-26-30(16)23-25-11-17-13-32-20-6-4-3-5-18(20)21(17)27-23/h3-6,11-12H,7-10,13-15H2,1-2H3.
What are the key properties of (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone?
(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone has a molecular weight of 446.58 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone is sourced from PubChem (CID 45488800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).