N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate

C61H60F6N10O6 — CID 165089174

IUPACN-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(N)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(NC(=O)OC(C)(C)C)CC2)nc(N2CCOCC2)c1
InChIInChI=1S/C33H34F3N5O4.C28H26F3N5O2/c1-21-5-6-24(39-29(42)22-8-12-37-27(18-22)33(34,35)36)20-26(21)23-17-25(38-28(19-23)41-13-15-44-16-14-41)7-9-32(10-11-32)40-30(43)45-31(2,3)4;1-18-2-3-21(35-26(37)19-5-9-33-24(15-19)28(29,30)31)17-23(18)20-14-22(4-6-27(32)7-8-27)34-25(16-20)36-10-12-38-13-11-36/h5-6,8,12,17-20H,10-11,13-16H2,1-4H3,(H,39,42)(H,40,43);2-3,5,9,14-17H,7-8,10-13,32H2,1H3,(H,35,37)
InChIKeyWKHPMOUGMBJOEC-UHFFFAOYSA-N
MW1143.20 g/mol
LogP10.37
Rot. Bonds9

About N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate

N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate (PubChem CID 165089174) has the molecular formula C61H60F6N10O6 and a molecular weight of 1143.20 g/mol. Its IUPAC name is N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate.

Molecular Properties

Compound NameN-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate
PubChem CID165089174
Molecular FormulaC61H60F6N10O6
Molecular Weight1143.20 g/mol
Exact Mass1142.46
IUPAC NameN-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(N)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(NC(=O)OC(C)(C)C)CC2)nc(N2CCOCC2)c1
InChIInChI=1S/C33H34F3N5O4.C28H26F3N5O2/c1-21-5-6-24(39-29(42)22-8-12-37-27(18-22)33(34,35)36)20-26(21)23-17-25(38-28(19-23)41-13-15-44-16-14-41)7-9-32(10-11-32)40-30(43)45-31(2,3)4;1-18-2-3-21(35-26(37)19-5-9-33-24(15-19)28(29,30)31)17-23(18)20-14-22(4-6-27(32)7-8-27)34-25(16-20)36-10-12-38-13-11-36/h5-6,8,12,17-20H,10-11,13-16H2,1-4H3,(H,39,42)(H,40,43);2-3,5,9,14-17H,7-8,10-13,32H2,1H3,(H,35,37)
InChIKeyWKHPMOUGMBJOEC-UHFFFAOYSA-N
XLogP10.37
TPSA199.05 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.20
LogP ≤ 510.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[2-[4-[2-methyl-5-(methylamino)phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate
CID 167009557
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3S)-4,4,4-trifluoro-3-hydroxybut-1-ynyl]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfane
CID 165107587
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 162767272
N-[3-[6-(3-formamidoprop-1-ynyl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 163255688
methyl 5-[5-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]pent-4-ynoate
CID 163255578
N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 90461015
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462501
N-[4-methyl-3-[5-morpholin-4-yl-6-[3-(3-oxomorpholin-4-yl)prop-1-ynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 163255680
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463027
2-cyclopropyl-N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 134380057
N-[4-methyl-3-[6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]-5-morpholin-4-yl-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 164735139

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate?
The IUPAC name of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate (CID 165089174) is N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate.
What is the SMILES notation for N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate?
The canonical SMILES for N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(N)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(NC(=O)OC(C)(C)C)CC2)nc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate?
The InChIKey is WKHPMOUGMBJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O4.C28H26F3N5O2/c1-21-5-6-24(39-29(42)22-8-12-37-27(18-22)33(34,35)36)20-26(21)23-17-25(38-28(19-23)41-13-15-44-16-14-41)7-9-32(10-11-32)40-30(43)45-31(2,3)4;1-18-2-3-21(35-26(37)19-5-9-33-24(15-19)28(29,30)31)17-23(18)20-14-22(4-6-27(32)7-8-27)34-25(16-20)36-10-12-38-13-11-36/h5-6,8,12,17-20H,10-11,13-16H2,1-4H3,(H,39,42)(H,40,43);2-3,5,9,14-17H,7-8,10-13,32H2,1H3,(H,35,37).
What are the key properties of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate?
N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate has a molecular weight of 1143.20 g/mol, XLogP of 10.37, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate is sourced from PubChem (CID 165089174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).