1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride

C17H25ClN4O — CID 75495671

IUPAC1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)n1ncc2ccc(NC(=O)C3(N)CCCCC3)cc21.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-12(2)21-15-10-14(7-6-13(15)11-19-21)20-16(22)17(18)8-4-3-5-9-17;/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,20,22);1H
InChIKeyDWWFIAWSLWLIDD-UHFFFAOYSA-N
MW336.87 g/mol
LogP3.64
Rot. Bonds3

About 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 75495671) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID75495671
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)n1ncc2ccc(NC(=O)C3(N)CCCCC3)cc21.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-12(2)21-15-10-14(7-6-13(15)11-19-21)20-16(22)17(18)8-4-3-5-9-17;/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,20,22);1H
InChIKeyDWWFIAWSLWLIDD-UHFFFAOYSA-N
XLogP3.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride (CID 75495671) is 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride is CC(C)n1ncc2ccc(NC(=O)C3(N)CCCCC3)cc21.Cl.
What is the InChIKey of 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DWWFIAWSLWLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-12(2)21-15-10-14(7-6-13(15)11-19-21)20-16(22)17(18)8-4-3-5-9-17;/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,20,22);1H.
What are the key properties of 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 75495671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).