(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H20N4O2S — CID 46999531

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)s1
InChIInChI=1S/C19H20N4O2S/c1-12-18(26-13(2)20-12)19(24)23-9-8-16-15(10-23)17(22-21-16)11-25-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,22)
InChIKeyROHVFDRSCQOEOV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.26
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 46999531) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID46999531
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)s1
InChIInChI=1S/C19H20N4O2S/c1-12-18(26-13(2)20-12)19(24)23-9-8-16-15(10-23)17(22-21-16)11-25-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,22)
InChIKeyROHVFDRSCQOEOV-UHFFFAOYSA-N
XLogP3.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46987105
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 46994987
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585612
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990994
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 146044555
1-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 31225103
[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 30258630
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 29170162
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 47000148
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46969443

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 46999531) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is Cc1nc(C)c(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is ROHVFDRSCQOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-18(26-13(2)20-12)19(24)23-9-8-16-15(10-23)17(22-21-16)11-25-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,22).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46999531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).