N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

C13H15N5O2S — CID 166327316

IUPACN-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1sc(C(N)=O)cc1NC(=O)c1n[nH]c2c1CCNC2
InChIInChI=1S/C13H15N5O2S/c1-6-8(4-10(21-6)12(14)19)16-13(20)11-7-2-3-15-5-9(7)17-18-11/h4,15H,2-3,5H2,1H3,(H2,14,19)(H,16,20)(H,17,18)
InChIKeyVYJKZJKBOHFZHE-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.78
Rot. Bonds3

About N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166327316) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166327316
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1sc(C(N)=O)cc1NC(=O)c1n[nH]c2c1CCNC2
InChIInChI=1S/C13H15N5O2S/c1-6-8(4-10(21-6)12(14)19)16-13(20)11-7-2-3-15-5-9(7)17-18-11/h4,15H,2-3,5H2,1H3,(H2,14,19)(H,16,20)(H,17,18)
InChIKeyVYJKZJKBOHFZHE-UHFFFAOYSA-N
XLogP0.78
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 166327316) is N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is Cc1sc(C(N)=O)cc1NC(=O)c1n[nH]c2c1CCNC2.
What is the InChIKey of N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is VYJKZJKBOHFZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-6-8(4-10(21-6)12(14)19)16-13(20)11-7-2-3-15-5-9(7)17-18-11/h4,15H,2-3,5H2,1H3,(H2,14,19)(H,16,20)(H,17,18).
What are the key properties of N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methylthiophen-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166327316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).