(4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H20N4O2S — CID 31053462

IUPAC(4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1ncsc1C(=O)N1CCc2[nH]nc(COCc3ccccc3)c2C1
InChIInChI=1S/C19H20N4O2S/c1-13-18(26-12-20-13)19(24)23-8-7-16-15(9-23)17(22-21-16)11-25-10-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,21,22)
InChIKeyXPLPSWCQCJSPQH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.09
Rot. Bonds5

About (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 31053462) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID31053462
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1ncsc1C(=O)N1CCc2[nH]nc(COCc3ccccc3)c2C1
InChIInChI=1S/C19H20N4O2S/c1-13-18(26-12-20-13)19(24)23-8-7-16-15(9-23)17(22-21-16)11-25-10-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,21,22)
InChIKeyXPLPSWCQCJSPQH-UHFFFAOYSA-N
XLogP3.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 31053462) is (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is Cc1ncsc1C(=O)N1CCc2[nH]nc(COCc3ccccc3)c2C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is XPLPSWCQCJSPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-18(26-12-20-13)19(24)23-8-7-16-15(9-23)17(22-21-16)11-25-10-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,21,22).
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[3-(phenylmethoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 31053462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).