6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

C48H42Cl2FN7O4 — CID 144743701

IUPAC6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(Cc2ccc([C@H](C(N)=O)N(C(=O)c3cccnc3C)[C@@H]3CCc4c(Cl)cccc43)cn2)ccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C48H42Cl2FN7O4/c1-26-33(11-7-21-54-26)47(61)57(41-19-17-35-37(41)10-6-12-39(35)50)44(46(53)60)29-13-14-31(55-25-29)24-32-15-16-34(27(2)56-32)48(62)58(43(45(52)59)28-8-4-3-5-9-28)42-20-18-36-38(42)22-30(49)23-40(36)51/h3-16,21-23,25,41-44H,17-20,24H2,1-2H3,(H2,52,59)(H2,53,60)/t41-,42-,43-,44-/m1/s1
InChIKeyMQYGCMLVTOLASU-OWIHLRRYSA-N
MW870.81 g/mol
LogP8.24
Rot. Bonds12

About 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (PubChem CID 144743701) has the molecular formula C48H42Cl2FN7O4 and a molecular weight of 870.81 g/mol. Its IUPAC name is 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
PubChem CID144743701
Molecular FormulaC48H42Cl2FN7O4
Molecular Weight870.81 g/mol
Exact Mass869.27
IUPAC Name6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(Cc2ccc([C@H](C(N)=O)N(C(=O)c3cccnc3C)[C@@H]3CCc4c(Cl)cccc43)cn2)ccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C48H42Cl2FN7O4/c1-26-33(11-7-21-54-26)47(61)57(41-19-17-35-37(41)10-6-12-39(35)50)44(46(53)60)29-13-14-31(55-25-29)24-32-15-16-34(27(2)56-32)48(62)58(43(45(52)59)28-8-4-3-5-9-28)42-20-18-36-38(42)22-30(49)23-40(36)51/h3-16,21-23,25,41-44H,17-20,24H2,1-2H3,(H2,52,59)(H2,53,60)/t41-,42-,43-,44-/m1/s1
InChIKeyMQYGCMLVTOLASU-OWIHLRRYSA-N
XLogP8.24
TPSA165.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.81
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide 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 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (CID 144743701) is 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is Cc1nc(Cc2ccc([C@H](C(N)=O)N(C(=O)c3cccnc3C)[C@@H]3CCc4c(Cl)cccc43)cn2)ccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is MQYGCMLVTOLASU-OWIHLRRYSA-N. The full InChI is InChI=1S/C48H42Cl2FN7O4/c1-26-33(11-7-21-54-26)47(61)57(41-19-17-35-37(41)10-6-12-39(35)50)44(46(53)60)29-13-14-31(55-25-29)24-32-15-16-34(27(2)56-32)48(62)58(43(45(52)59)28-8-4-3-5-9-28)42-20-18-36-38(42)22-30(49)23-40(36)51/h3-16,21-23,25,41-44H,17-20,24H2,1-2H3,(H2,52,59)(H2,53,60)/t41-,42-,43-,44-/m1/s1.
What are the key properties of 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 870.81 g/mol, XLogP of 8.24, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(1R)-2-amino-1-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-(2-methylpyridine-3-carbonyl)amino]-2-oxoethyl]-2-pyridinyl]methyl]-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 144743701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).