1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C96H104ClF3N20O6 — CID 161424158

IUPAC1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1cc(F)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.COc1ccc(F)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cc(Cl)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1
InChIInChI=1S/C24H26ClN5O.2C24H26FN5O2.C24H26FN5O/c1-15-11-17(25)4-5-19(15)21-7-6-20(27)24(29-21)23(31)12-16-13-28-9-8-22(16)30-10-2-3-18(26)14-30;1-32-23-7-4-16(25)12-18(23)20-6-5-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30;1-32-23-12-16(25)4-5-18(23)20-7-6-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30;1-15-11-17(25)4-5-19(15)21-7-6-20(27)24(29-21)23(31)12-16-13-28-9-8-22(16)30-10-2-3-18(26)14-30/h4-9,11,13,18H,2-3,10,12,14,26-27H2,1H3;2*4-9,12-13,17H,2-3,10-11,14,26-27H2,1H3;4-9,11,13,18H,2-3,10,12,14,26-27H2,1H3/t18-;2*17-;18-/m0000/s1
InChIKeyVXDCQDHJNYBJKJ-KMXFQNCESA-N
MW1726.47 g/mol
LogP14.02
Rot. Bonds22

About 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 161424158) has the molecular formula C96H104ClF3N20O6 and a molecular weight of 1726.47 g/mol. Its IUPAC name is 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID161424158
Molecular FormulaC96H104ClF3N20O6
Molecular Weight1726.47 g/mol
Exact Mass1724.81
IUPAC Name1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1cc(F)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.COc1ccc(F)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cc(Cl)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1
InChIInChI=1S/C24H26ClN5O.2C24H26FN5O2.C24H26FN5O/c1-15-11-17(25)4-5-19(15)21-7-6-20(27)24(29-21)23(31)12-16-13-28-9-8-22(16)30-10-2-3-18(26)14-30;1-32-23-7-4-16(25)12-18(23)20-6-5-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30;1-32-23-12-16(25)4-5-18(23)20-7-6-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30;1-15-11-17(25)4-5-19(15)21-7-6-20(27)24(29-21)23(31)12-16-13-28-9-8-22(16)30-10-2-3-18(26)14-30/h4-9,11,13,18H,2-3,10,12,14,26-27H2,1H3;2*4-9,12-13,17H,2-3,10-11,14,26-27H2,1H3;4-9,11,13,18H,2-3,10,12,14,26-27H2,1H3/t18-;2*17-;18-/m0000/s1
InChIKeyVXDCQDHJNYBJKJ-KMXFQNCESA-N
XLogP14.02
TPSA410.98 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.47
LogP ≤ 514.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone 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

CID 146361326
CID 146361326
CID 146795473
CID 146795473
CID 152862762
CID 152862762
CID 158677476
CID 158677476
CID 158959375
CID 158959375
CID 159971624
CID 159971624
CID 160222281
CID 160222281
CID 160605468
CID 160605468
CID 160735612
CID 160735612
CID 161073702
CID 161073702
CID 161273630
CID 161273630
CID 161923656
CID 161923656

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 161424158) is 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is COc1cc(F)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.COc1ccc(F)cc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cc(Cl)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.
What is the InChIKey of 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is VXDCQDHJNYBJKJ-KMXFQNCESA-N. The full InChI is InChI=1S/C24H26ClN5O.2C24H26FN5O2.C24H26FN5O/c1-15-11-17(25)4-5-19(15)21-7-6-20(27)24(29-21)23(31)12-16-13-28-9-8-22(16)30-10-2-3-18(26)14-30;1-32-23-7-4-16(25)12-18(23)20-6-5-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30;1-32-23-12-16(25)4-5-18(23)20-7-6-19(27)24(29-20)22(31)11-15-13-28-9-8-21(15)30-10-2-3-17(26)14-30;1-15-11-17(25)4-5-19(15)21-7-6-20(27)24(29-21)23(31)12-16-13-28-9-8-22(16)30-10-2-3-18(26)14-30/h4-9,11,13,18H,2-3,10,12,14,26-27H2,1H3;2*4-9,12-13,17H,2-3,10-11,14,26-27H2,1H3;4-9,11,13,18H,2-3,10,12,14,26-27H2,1H3/t18-;2*17-;18-/m0000/s1.
What are the key properties of 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 1726.47 g/mol, XLogP of 14.02, 22 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(4-chloro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone;1-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 161424158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).