2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine

C106H126N24O6 — CID 167607601

IUPAC2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine
SMILESCN1CCC(Oc2cccc(NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCC(Oc2cncc(NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCCC(Oc2ccnc(NCc3ccc4c(N)nccc4c3)c2)C1.Nc1nccc2cc(CNc3cc(OC4CCN(CCO)CC4)ccn3)ccc12.Nc1nccc2cc(CNc3cc(OC4CCNCC4)ccn3)ccc12
InChIInChI=1S/C22H27N5O2.C22H26N4O.2C21H25N5O.C20H23N5O/c23-22-20-2-1-16(13-17(20)3-7-25-22)15-26-21-14-19(4-8-24-21)29-18-5-9-27(10-6-18)11-12-28;1-26-11-8-19(9-12-26)27-20-4-2-3-18(14-20)25-15-16-5-6-21-17(13-16)7-10-24-22(21)23;1-26-8-5-18(6-9-26)27-19-11-17(13-23-14-19)25-12-15-2-3-20-16(10-15)4-7-24-21(20)22;1-26-10-2-3-18(14-26)27-17-7-9-23-20(12-17)25-13-15-4-5-19-16(11-15)6-8-24-21(19)22;21-20-18-2-1-14(11-15(18)3-9-24-20)13-25-19-12-17(6-10-23-19)26-16-4-7-22-8-5-16/h1-4,7-8,13-14,18,28H,5-6,9-12,15H2,(H2,23,25)(H,24,26);2-7,10,13-14,19,25H,8-9,11-12,15H2,1H3,(H2,23,24);2-4,7,10-11,13-14,18,25H,5-6,8-9,12H2,1H3,(H2,22,24);4-9,11-12,18H,2-3,10,13-14H2,1H3,(H2,22,24)(H,23,25);1-3,6,9-12,16,22H,4-5,7-8,13H2,(H2,21,24)(H,23,25)
InChIKeyKPCYSRLRBFEHRU-UHFFFAOYSA-N
MW1832.34 g/mol
LogP16.11
Rot. Bonds27

About 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine

2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine (PubChem CID 167607601) has the molecular formula C106H126N24O6 and a molecular weight of 1832.34 g/mol. Its IUPAC name is 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine
PubChem CID167607601
Molecular FormulaC106H126N24O6
Molecular Weight1832.34 g/mol
Exact Mass1831.03
IUPAC Name2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine
SMILESCN1CCC(Oc2cccc(NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCC(Oc2cncc(NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCCC(Oc2ccnc(NCc3ccc4c(N)nccc4c3)c2)C1.Nc1nccc2cc(CNc3cc(OC4CCN(CCO)CC4)ccn3)ccc12.Nc1nccc2cc(CNc3cc(OC4CCNCC4)ccn3)ccc12
InChIInChI=1S/C22H27N5O2.C22H26N4O.2C21H25N5O.C20H23N5O/c23-22-20-2-1-16(13-17(20)3-7-25-22)15-26-21-14-19(4-8-24-21)29-18-5-9-27(10-6-18)11-12-28;1-26-11-8-19(9-12-26)27-20-4-2-3-18(14-20)25-15-16-5-6-21-17(13-16)7-10-24-22(21)23;1-26-8-5-18(6-9-26)27-19-11-17(13-23-14-19)25-12-15-2-3-20-16(10-15)4-7-24-21(20)22;1-26-10-2-3-18(14-26)27-17-7-9-23-20(12-17)25-13-15-4-5-19-16(11-15)6-8-24-21(19)22;21-20-18-2-1-14(11-15(18)3-9-24-20)13-25-19-12-17(6-10-23-19)26-16-4-7-22-8-5-16/h1-4,7-8,13-14,18,28H,5-6,9-12,15H2,(H2,23,25)(H,24,26);2-7,10,13-14,19,25H,8-9,11-12,15H2,1H3,(H2,23,24);2-4,7,10-11,13-14,18,25H,5-6,8-9,12H2,1H3,(H2,22,24);4-9,11-12,18H,2-3,10,13-14H2,1H3,(H2,22,24)(H,23,25);1-3,6,9-12,16,22H,4-5,7-8,13H2,(H2,21,24)(H,23,25)
InChIKeyKPCYSRLRBFEHRU-UHFFFAOYSA-N
XLogP16.11
TPSA397.63 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.34
LogP ≤ 516.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 69551522
N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123434918
N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123699487
(1R)-1-[2-[[5-[(3S,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]oxy-2-pyridinyl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529241
1-[2-[[5-[(3S,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]oxy-2-pyridinyl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529242
(1R)-1-[2-[[5-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]oxy-2-pyridinyl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529281
1-[2-[[5-[(3S,4S)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]oxy-2-pyridinyl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529283
2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158044675
3-Bromo-5-fluoropyridine;4-[[4-[(5-bromo-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-bromo-5-(trifluoromethyl)pyridine;4-[(4-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)benzonitrile;1-methylpiperazine;4-[[4-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile
CID 158697751
2-Bromo-5-(trifluoromethyl)pyridine;4-[[4-[(5-piperazin-1-yl-3-pyridinyl)oxy]cyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile;2-(trifluoromethyl)-4-[[4-[[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]benzonitrile
CID 159850480
5-(2-methoxyethoxy)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(2,2,2-trifluoro-1-methoxyethyl)-2-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;2,2,2-trifluoro-1-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]-3-pyridinyl]ethanol
CID 160017483
2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 160858077

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine?
The IUPAC name of 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine (CID 167607601) is 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine is CN1CCC(Oc2cccc(NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCC(Oc2cncc(NCc3ccc4c(N)nccc4c3)c2)CC1.CN1CCCC(Oc2ccnc(NCc3ccc4c(N)nccc4c3)c2)C1.Nc1nccc2cc(CNc3cc(OC4CCN(CCO)CC4)ccn3)ccc12.Nc1nccc2cc(CNc3cc(OC4CCNCC4)ccn3)ccc12.
What is the InChIKey of 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine?
The InChIKey is KPCYSRLRBFEHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2.C22H26N4O.2C21H25N5O.C20H23N5O/c23-22-20-2-1-16(13-17(20)3-7-25-22)15-26-21-14-19(4-8-24-21)29-18-5-9-27(10-6-18)11-12-28;1-26-11-8-19(9-12-26)27-20-4-2-3-18(14-20)25-15-16-5-6-21-17(13-16)7-10-24-22(21)23;1-26-8-5-18(6-9-26)27-19-11-17(13-23-14-19)25-12-15-2-3-20-16(10-15)4-7-24-21(20)22;1-26-10-2-3-18(14-26)27-17-7-9-23-20(12-17)25-13-15-4-5-19-16(11-15)6-8-24-21(19)22;21-20-18-2-1-14(11-15(18)3-9-24-20)13-25-19-12-17(6-10-23-19)26-16-4-7-22-8-5-16/h1-4,7-8,13-14,18,28H,5-6,9-12,15H2,(H2,23,25)(H,24,26);2-7,10,13-14,19,25H,8-9,11-12,15H2,1H3,(H2,23,24);2-4,7,10-11,13-14,18,25H,5-6,8-9,12H2,1H3,(H2,22,24);4-9,11-12,18H,2-3,10,13-14H2,1H3,(H2,22,24)(H,23,25);1-3,6,9-12,16,22H,4-5,7-8,13H2,(H2,21,24)(H,23,25).
What are the key properties of 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine?
2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine has a molecular weight of 1832.34 g/mol, XLogP of 16.11, 27 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(1-aminoisoquinolin-6-yl)methylamino]-4-pyridinyl]oxy]piperidin-1-yl]ethanol;6-[[3-(1-methylpiperidin-4-yl)oxyanilino]methyl]isoquinolin-1-amine;6-[[[4-(1-methylpiperidin-3-yl)oxy-2-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[[5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]amino]methyl]isoquinolin-1-amine;6-[[(4-piperidin-4-yloxy-2-pyridinyl)amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 167607601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).