(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone

C13H15ClN4OS — CID 69188761

IUPAC(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc(Cl)sc1C(=O)N1Cc2cn[nH]c2C(C)(C)C1
InChIInChI=1S/C13H15ClN4OS/c1-7-9(20-12(14)16-7)11(19)18-5-8-4-15-17-10(8)13(2,3)6-18/h4H,5-6H2,1-3H3,(H,15,17)
InChIKeyNJTLHJKMCQMJGF-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.76
Rot. Bonds1

About (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone

(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 69188761) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID69188761
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc(Cl)sc1C(=O)N1Cc2cn[nH]c2C(C)(C)C1
InChIInChI=1S/C13H15ClN4OS/c1-7-9(20-12(14)16-7)11(19)18-5-8-4-15-17-10(8)13(2,3)6-18/h4H,5-6H2,1-3H3,(H,15,17)
InChIKeyNJTLHJKMCQMJGF-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone (CID 69188761) is (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone is Cc1nc(Cl)sc1C(=O)N1Cc2cn[nH]c2C(C)(C)C1.
What is the InChIKey of (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is NJTLHJKMCQMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-7-9(20-12(14)16-7)11(19)18-5-8-4-15-17-10(8)13(2,3)6-18/h4H,5-6H2,1-3H3,(H,15,17).
What are the key properties of (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 310.81 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 69188761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).