5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine

C87H90Cl4F5N21 — CID 173468588

IUPAC5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCNCC2)cc1-c1ccnc(NCc2ccncc2)c1.Fc1cc(F)cc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)c1.Fc1ccc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)cc1F.Fc1cccc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)c1
InChIInChI=1S/2C22H22ClF2N5.C22H23ClFN5.C21H23ClN6/c23-20-13-29-22(30-18-2-4-26-5-3-18)11-19(20)15-1-6-27-21(9-15)28-12-14-7-16(24)10-17(25)8-14;23-18-13-29-22(30-16-4-6-26-7-5-16)11-17(18)15-3-8-27-21(10-15)28-12-14-1-2-19(24)20(25)9-14;23-20-14-28-22(29-18-5-7-25-8-6-18)12-19(20)16-4-9-26-21(11-16)27-13-15-2-1-3-17(24)10-15;22-19-14-27-21(28-17-4-8-24-9-5-17)12-18(19)16-3-10-25-20(11-16)26-13-15-1-6-23-7-2-15/h1,6-11,13,18,26H,2-5,12H2,(H,27,28)(H,29,30);1-3,8-11,13,16,26H,4-7,12H2,(H,27,28)(H,29,30);1-4,9-12,14,18,25H,5-8,13H2,(H,26,27)(H,28,29);1-3,6-7,10-12,14,17,24H,4-5,8-9,13H2,(H,25,26)(H,27,28)
InChIKeyZWVDHCJICHMMLO-UHFFFAOYSA-N
MW1666.63 g/mol
LogP18.38
Rot. Bonds24

About 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine

5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine (PubChem CID 173468588) has the molecular formula C87H90Cl4F5N21 and a molecular weight of 1666.63 g/mol. Its IUPAC name is 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
PubChem CID173468588
Molecular FormulaC87H90Cl4F5N21
Molecular Weight1666.63 g/mol
Exact Mass1663.64
IUPAC Name5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCNCC2)cc1-c1ccnc(NCc2ccncc2)c1.Fc1cc(F)cc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)c1.Fc1ccc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)cc1F.Fc1cccc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)c1
InChIInChI=1S/2C22H22ClF2N5.C22H23ClFN5.C21H23ClN6/c23-20-13-29-22(30-18-2-4-26-5-3-18)11-19(20)15-1-6-27-21(9-15)28-12-14-7-16(24)10-17(25)8-14;23-18-13-29-22(30-16-4-6-26-7-5-16)11-17(18)15-3-8-27-21(10-15)28-12-14-1-2-19(24)20(25)9-14;23-20-14-28-22(29-18-5-7-25-8-6-18)12-19(20)16-4-9-26-21(11-16)27-13-15-2-1-3-17(24)10-15;22-19-14-27-21(28-17-4-8-24-9-5-17)12-18(19)16-3-10-25-20(11-16)26-13-15-1-6-23-7-2-15/h1,6-11,13,18,26H,2-5,12H2,(H,27,28)(H,29,30);1-3,8-11,13,16,26H,4-7,12H2,(H,27,28)(H,29,30);1-4,9-12,14,18,25H,5-8,13H2,(H,26,27)(H,28,29);1-3,6-7,10-12,14,17,24H,4-5,8-9,13H2,(H,25,26)(H,27,28)
InChIKeyZWVDHCJICHMMLO-UHFFFAOYSA-N
XLogP18.38
TPSA260.37 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.63
LogP ≤ 518.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-(3,5-difluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 50908321
4-N-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50908322
5'-chloro-N6-(3-fluorobenzyl)-N2'-(piperidin-4-yl)-2,4'-bipyridine-2',6-diamine
CID 60142135
N2'-(trans-4-aminocyclohexyl)-5'-chloro-5-fluoro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 66936965
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 68405127
5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 68405148
4-N-[5-chloro-4-[6-[(3,4-difluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405335
4-N-[5-chloro-4-[6-[(2,5-difluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405337
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyridin-2-amine
CID 68405483
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 68405487
5-chloro-4-[6-[(3,4-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 68405532
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 68405536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine (CID 173468588) is 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine is Clc1cnc(NC2CCNCC2)cc1-c1ccnc(NCc2ccncc2)c1.Fc1cc(F)cc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)c1.Fc1ccc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)cc1F.Fc1cccc(CNc2cc(-c3cc(NC4CCNCC4)ncc3Cl)ccn2)c1.
What is the InChIKey of 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
The InChIKey is ZWVDHCJICHMMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22ClF2N5.C22H23ClFN5.C21H23ClN6/c23-20-13-29-22(30-18-2-4-26-5-3-18)11-19(20)15-1-6-27-21(9-15)28-12-14-7-16(24)10-17(25)8-14;23-18-13-29-22(30-16-4-6-26-7-5-16)11-17(18)15-3-8-27-21(10-15)28-12-14-1-2-19(24)20(25)9-14;23-20-14-28-22(29-18-5-7-25-8-6-18)12-19(20)16-4-9-26-21(11-16)27-13-15-2-1-3-17(24)10-15;22-19-14-27-21(28-17-4-8-24-9-5-17)12-18(19)16-3-10-25-20(11-16)26-13-15-1-6-23-7-2-15/h1,6-11,13,18,26H,2-5,12H2,(H,27,28)(H,29,30);1-3,8-11,13,16,26H,4-7,12H2,(H,27,28)(H,29,30);1-4,9-12,14,18,25H,5-8,13H2,(H,26,27)(H,28,29);1-3,6-7,10-12,14,17,24H,4-5,8-9,13H2,(H,25,26)(H,27,28).
What are the key properties of 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine has a molecular weight of 1666.63 g/mol, XLogP of 18.38, 24 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 173468588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).