N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C17H26ClN5O2S — CID 119576045

IUPACN-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)NC(C)(CN)C3CC3)cc12.Cl
InChIInChI=1S/C17H25N5O2S.ClH/c1-9-12-7-13(25-16(12)22(4)21-9)15(24)19-10(2)14(23)20-17(3,8-18)11-5-6-11;/h7,10-11H,5-6,8,18H2,1-4H3,(H,19,24)(H,20,23);1H
InChIKeyFJAXJYQTJFWKLJ-UHFFFAOYSA-N
MW399.95 g/mol
LogP1.73
Rot. Bonds6

About N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119576045) has the molecular formula C17H26ClN5O2S and a molecular weight of 399.95 g/mol. Its IUPAC name is N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119576045
Molecular FormulaC17H26ClN5O2S
Molecular Weight399.95 g/mol
Exact Mass399.15
IUPAC NameN-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)NC(C)(CN)C3CC3)cc12.Cl
InChIInChI=1S/C17H25N5O2S.ClH/c1-9-12-7-13(25-16(12)22(4)21-9)15(24)19-10(2)14(23)20-17(3,8-18)11-5-6-11;/h7,10-11H,5-6,8,18H2,1-4H3,(H,19,24)(H,20,23);1H
InChIKeyFJAXJYQTJFWKLJ-UHFFFAOYSA-N
XLogP1.73
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119576045) is N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(C)c2sc(C(=O)NC(C)C(=O)NC(C)(CN)C3CC3)cc12.Cl.
What is the InChIKey of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is FJAXJYQTJFWKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S.ClH/c1-9-12-7-13(25-16(12)22(4)21-9)15(24)19-10(2)14(23)20-17(3,8-18)11-5-6-11;/h7,10-11H,5-6,8,18H2,1-4H3,(H,19,24)(H,20,23);1H.
What are the key properties of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 399.95 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119576045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).