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

C17H28ClN5O2S — CID 119657145

IUPACN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)N(C)CC(C)(C)CN)cc12.Cl
InChIInChI=1S/C17H27N5O2S.ClH/c1-10-12-7-13(25-16(12)22(6)20-10)14(23)19-11(2)15(24)21(5)9-17(3,4)8-18;/h7,11H,8-9,18H2,1-6H3,(H,19,23);1H
InChIKeyNGRQHAIOUSWQFC-UHFFFAOYSA-N
MW401.96 g/mol
LogP1.93
Rot. Bonds6

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

N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119657145) has the molecular formula C17H28ClN5O2S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119657145
Molecular FormulaC17H28ClN5O2S
Molecular Weight401.96 g/mol
Exact Mass401.17
IUPAC NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)N(C)CC(C)(C)CN)cc12.Cl
InChIInChI=1S/C17H27N5O2S.ClH/c1-10-12-7-13(25-16(12)22(6)20-10)14(23)19-11(2)15(24)21(5)9-17(3,4)8-18;/h7,11H,8-9,18H2,1-6H3,(H,19,23);1H
InChIKeyNGRQHAIOUSWQFC-UHFFFAOYSA-N
XLogP1.93
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119657145) is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(C)c2sc(C(=O)NC(C)C(=O)N(C)CC(C)(C)CN)cc12.Cl.
What is the InChIKey of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is NGRQHAIOUSWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S.ClH/c1-10-12-7-13(25-16(12)22(6)20-10)14(23)19-11(2)15(24)21(5)9-17(3,4)8-18;/h7,11H,8-9,18H2,1-6H3,(H,19,23);1H.
What are the key properties of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119657145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).