[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone

C18H23N5O2S — CID 91816932

IUPAC[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)s1
InChIInChI=1S/C18H23N5O2S/c1-12-16(26-13(2)19-12)18(25)22-9-7-21(8-10-22)17(24)15-11-14-5-3-4-6-23(14)20-15/h11H,3-10H2,1-2H3
InChIKeyHTJSPYYEQSZHBX-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.89
Rot. Bonds2

About [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone

[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 91816932) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID91816932
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)s1
InChIInChI=1S/C18H23N5O2S/c1-12-16(26-13(2)19-12)18(25)22-9-7-21(8-10-22)17(24)15-11-14-5-3-4-6-23(14)20-15/h11H,3-10H2,1-2H3
InChIKeyHTJSPYYEQSZHBX-UHFFFAOYSA-N
XLogP1.89
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 91816932) is [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone is Cc1nc(C)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)s1.
What is the InChIKey of [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is HTJSPYYEQSZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-16(26-13(2)19-12)18(25)22-9-7-21(8-10-22)17(24)15-11-14-5-3-4-6-23(14)20-15/h11H,3-10H2,1-2H3.
What are the key properties of [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 91816932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).