2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride

C26H34Cl2N6O3 — CID 171670032

IUPAC2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride
SMILESCC(NC(=O)C(N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1.Cl.Cl
InChIInChI=1S/C26H32N6O3.2ClH/c1-19(29-25(34)22(27)17-20-5-3-2-4-6-20)26(35)32-15-13-31(14-16-32)24(33)9-12-30-11-8-21-7-10-28-18-23(21)30;;/h2-8,10-11,18-19,22H,9,12-17,27H2,1H3,(H,29,34);2*1H
InChIKeyAJFGRTYJUJRFTO-UHFFFAOYSA-N
MW549.50 g/mol
LogP2.02
Rot. Bonds8

About 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 171670032) has the molecular formula C26H34Cl2N6O3 and a molecular weight of 549.50 g/mol. Its IUPAC name is 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride
PubChem CID171670032
Molecular FormulaC26H34Cl2N6O3
Molecular Weight549.50 g/mol
Exact Mass548.21
IUPAC Name2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride
SMILESCC(NC(=O)C(N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1.Cl.Cl
InChIInChI=1S/C26H32N6O3.2ClH/c1-19(29-25(34)22(27)17-20-5-3-2-4-6-20)26(35)32-15-13-31(14-16-32)24(33)9-12-30-11-8-21-7-10-28-18-23(21)30;;/h2-8,10-11,18-19,22H,9,12-17,27H2,1H3,(H,29,34);2*1H
InChIKeyAJFGRTYJUJRFTO-UHFFFAOYSA-N
XLogP2.02
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
CID 119849524
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
CID 119891246
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851464
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
CID 59684100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride (CID 171670032) is 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride is CC(NC(=O)C(N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is AJFGRTYJUJRFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3.2ClH/c1-19(29-25(34)22(27)17-20-5-3-2-4-6-20)26(35)32-15-13-31(14-16-32)24(33)9-12-30-11-8-21-7-10-28-18-23(21)30;;/h2-8,10-11,18-19,22H,9,12-17,27H2,1H3,(H,29,34);2*1H.
What are the key properties of 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 549.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 171670032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).