N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine

C35H40F6N4O2 — CID 141495726

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(N3CCOCC3)cn2)CN(C)CC1
InChIInChI=1S/C35H40F6N4O2/c1-23(2)25-5-7-32(46-4)31(17-25)30-9-10-43(3)21-26(30)22-45(33-8-6-29(19-42-33)44-11-13-47-14-12-44)20-24-15-27(34(36,37)38)18-28(16-24)35(39,40)41/h5-8,15-19,23H,9-14,20-22H2,1-4H3
InChIKeySOEVCYLTWOMNCQ-UHFFFAOYSA-N
MW662.72 g/mol
LogP7.88
Rot. Bonds9

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine (PubChem CID 141495726) has the molecular formula C35H40F6N4O2 and a molecular weight of 662.72 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine
PubChem CID141495726
Molecular FormulaC35H40F6N4O2
Molecular Weight662.72 g/mol
Exact Mass662.31
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(N3CCOCC3)cn2)CN(C)CC1
InChIInChI=1S/C35H40F6N4O2/c1-23(2)25-5-7-32(46-4)31(17-25)30-9-10-43(3)21-26(30)22-45(33-8-6-29(19-42-33)44-11-13-47-14-12-44)20-24-15-27(34(36,37)38)18-28(16-24)35(39,40)41/h5-8,15-19,23H,9-14,20-22H2,1-4H3
InChIKeySOEVCYLTWOMNCQ-UHFFFAOYSA-N
XLogP7.88
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.72
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

U 80493
CID 196883
(8r)-3,3-Difluoro-8-[4-Fluoro-3-(Pyridin-3-Yl)phenyl]-8-(4-Methoxy-3-Methylphenyl)-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 57396607
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
CID 196882
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
CID 134145995
3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-8-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 137631844
3-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-8-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 137633563
22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-16,19-difluoro-3-propan-2-yl-11-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one
CID 156295426
22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-15,16,19-trifluoro-8-methyl-3-propan-2-yl-11-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one
CID 156295438
16,19-difluoro-22-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-11-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one
CID 156295525
1-[4-Methoxy-3,5-dimethylbenzyl]-4-[3-(propylamino)-2-pyridinyl]piperazine
CID 455374
2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride
CID 45259206

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine (CID 141495726) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine is COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(N3CCOCC3)cn2)CN(C)CC1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine?
The InChIKey is SOEVCYLTWOMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F6N4O2/c1-23(2)25-5-7-32(46-4)31(17-25)30-9-10-43(3)21-26(30)22-45(33-8-6-29(19-42-33)44-11-13-47-14-12-44)20-24-15-27(34(36,37)38)18-28(16-24)35(39,40)41/h5-8,15-19,23H,9-14,20-22H2,1-4H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine has a molecular weight of 662.72 g/mol, XLogP of 7.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-(2-methoxy-5-propan-2-ylphenyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 141495726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).