[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C64H75F12N19O5 — CID 157280610

IUPAC[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCCN2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C17H18F3N5O.C16H16F3N5O.C14H13F3N4O2.5H2/c18-17(19,20)12-5-6-13(24-9-10-3-1-7-22-10)25-14(12)15(26)11-4-2-8-23-16(11)21;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;17-16(18,19)11-3-4-12(23-9-5-7-21-8-9)24-13(11)14(25)10-2-1-6-22-15(10)20;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19;;;;;/h2,4-6,8,10,22H,1,3,7,9H2,(H2,21,23)(H,24,25);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);1-4,6,9,21H,5,7-8H2,(H2,20,22)(H,23,24);1-4,6H,5,7,18H2,(H2,19,20);5*1H
InChIKeyAZPSNUZQDLUYAX-UHFFFAOYSA-N
MW1418.41 g/mol
LogP9.76
Rot. Bonds19

About [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157280610) has the molecular formula C64H75F12N19O5 and a molecular weight of 1418.41 g/mol. Its IUPAC name is [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157280610
Molecular FormulaC64H75F12N19O5
Molecular Weight1418.41 g/mol
Exact Mass1417.60
IUPAC Name[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCCN2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C17H18F3N5O.C16H16F3N5O.C14H13F3N4O2.5H2/c18-17(19,20)12-5-6-13(24-9-10-3-1-7-22-10)25-14(12)15(26)11-4-2-8-23-16(11)21;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;17-16(18,19)11-3-4-12(23-9-5-7-21-8-9)24-13(11)14(25)10-2-1-6-22-15(10)20;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19;;;;;/h2,4-6,8,10,22H,1,3,7,9H2,(H2,21,23)(H,24,25);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);1-4,6,9,21H,5,7-8H2,(H2,20,22)(H,23,24);1-4,6H,5,7,18H2,(H2,19,20);5*1H
InChIKeyAZPSNUZQDLUYAX-UHFFFAOYSA-N
XLogP9.76
TPSA382.91 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001418.41
LogP ≤ 59.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Related Compounds

[6-[2-Amino-2-(oxan-4-yl)ethoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816955
[6-(2-Amino-2-phenylethoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690666
2-[6-[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 123759213
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-2-yl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-ylpyridin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-(ethylamino)-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]pyridine-2-carboxamide
CID 146361212
[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157193468
(2-Amino-3-pyridinyl)-[6-(3-ethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[2-(oxan-4-yl)propoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-propylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157195363
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1R)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 157209921
[6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157256502
[6-[(1-Aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylethyl)amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157256503
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
CID 157330010
(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine
CID 157420647

Frequently Asked Questions

What is the IUPAC name of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 157280610) is [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is NCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCCN2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is AZPSNUZQDLUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18F3N5O.C16H16F3N5O.C14H13F3N4O2.5H2/c18-17(19,20)12-5-6-13(24-9-10-3-1-7-22-10)25-14(12)15(26)11-4-2-8-23-16(11)21;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;17-16(18,19)11-3-4-12(23-9-5-7-21-8-9)24-13(11)14(25)10-2-1-6-22-15(10)20;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19;;;;;/h2,4-6,8,10,22H,1,3,7,9H2,(H2,21,23)(H,24,25);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);1-4,6,9,21H,5,7-8H2,(H2,20,22)(H,23,24);1-4,6H,5,7,18H2,(H2,19,20);5*1H.
What are the key properties of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1418.41 g/mol, XLogP of 9.76, 19 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157280610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).