N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C15H18ClN5OS — CID 119515945

IUPACN-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)Nc3ccc(N)nc3)cc12.Cl
InChIInChI=1S/C15H17N5OS.ClH/c1-8(2)13-10-6-11(22-15(10)20(3)19-13)14(21)18-9-4-5-12(16)17-7-9;/h4-8H,1-3H3,(H2,16,17)(H,18,21);1H
InChIKeyIZQLOJOMIUHQRQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.41
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119515945) has the molecular formula C15H18ClN5OS and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119515945
Molecular FormulaC15H18ClN5OS
Molecular Weight351.86 g/mol
Exact Mass351.09
IUPAC NameN-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)Nc3ccc(N)nc3)cc12.Cl
InChIInChI=1S/C15H17N5OS.ClH/c1-8(2)13-10-6-11(22-15(10)20(3)19-13)14(21)18-9-4-5-12(16)17-7-9;/h4-8H,1-3H3,(H2,16,17)(H,18,21);1H
InChIKeyIZQLOJOMIUHQRQ-UHFFFAOYSA-N
XLogP3.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119628799
1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 99813723
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119607661
(2R)-2-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119367111
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119567082
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
1-methyl-N-piperidin-3-yl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119427314
1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51314909
7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
CID 119227274
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
cis-(1S,3R)-3-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675311

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119515945) is N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(N)nc3)cc12.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is IZQLOJOMIUHQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS.ClH/c1-8(2)13-10-6-11(22-15(10)20(3)19-13)14(21)18-9-4-5-12(16)17-7-9;/h4-8H,1-3H3,(H2,16,17)(H,18,21);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119515945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).