(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride

C17H21Cl2N5O — CID 164800166

IUPAC(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
SMILESCc1cccc(-n2ncc3ccc(NC(=O)[C@@H](N)CN)cc32)c1.Cl.Cl
InChIInChI=1S/C17H19N5O.2ClH/c1-11-3-2-4-14(7-11)22-16-8-13(6-5-12(16)10-20-22)21-17(23)15(19)9-18;;/h2-8,10,15H,9,18-19H2,1H3,(H,21,23);2*1H/t15-;;/m0../s1
InChIKeyFRRVAYWZWFCLMD-CKUXDGONSA-N
MW382.30 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride

(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride (PubChem CID 164800166) has the molecular formula C17H21Cl2N5O and a molecular weight of 382.30 g/mol. Its IUPAC name is (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
PubChem CID164800166
Molecular FormulaC17H21Cl2N5O
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
SMILESCc1cccc(-n2ncc3ccc(NC(=O)[C@@H](N)CN)cc32)c1.Cl.Cl
InChIInChI=1S/C17H19N5O.2ClH/c1-11-3-2-4-14(7-11)22-16-8-13(6-5-12(16)10-20-22)21-17(23)15(19)9-18;;/h2-8,10,15H,9,18-19H2,1H3,(H,21,23);2*1H/t15-;;/m0../s1
InChIKeyFRRVAYWZWFCLMD-CKUXDGONSA-N
XLogP2.40
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride (CID 164800166) is (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride is Cc1cccc(-n2ncc3ccc(NC(=O)[C@@H](N)CN)cc32)c1.Cl.Cl.
What is the InChIKey of (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride?
The InChIKey is FRRVAYWZWFCLMD-CKUXDGONSA-N. The full InChI is InChI=1S/C17H19N5O.2ClH/c1-11-3-2-4-14(7-11)22-16-8-13(6-5-12(16)10-20-22)21-17(23)15(19)9-18;;/h2-8,10,15H,9,18-19H2,1H3,(H,21,23);2*1H/t15-;;/m0../s1.
What are the key properties of (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride?
(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride has a molecular weight of 382.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride is sourced from PubChem (CID 164800166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).