[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C67H80F12N22O4 — CID 160963661

IUPAC[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Cc1cc(N)n(-c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n1.Cc1cc(Nc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H22F3N5O.C17H20F3N5O.2C16H13F3N6O.6H2/c1-10(2)8-11(22)9-25-14-6-5-13(18(19,20)21)15(26-14)16(27)12-4-3-7-24-17(12)23;1-9(2)12(21)8-24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;1-8-7-11(20)25(24-8)12-5-4-10(16(17,18)19)13(23-12)14(26)9-3-2-6-22-15(9)21;1-8-7-12(25-24-8)22-11-5-4-10(16(17,18)19)13(23-11)14(26)9-3-2-6-21-15(9)20;;;;;;/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24)(H,25,26);3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);2-7H,20H2,1H3,(H2,21,22);2-7H,1H3,(H2,20,21)(H2,22,23,24,25);6*1H/t11-;12-;;;;;;;;/m01......../s1
InChIKeySXIGCGHUHPUPRH-YFUVUMRUSA-N
MW1485.50 g/mol
LogP12.74
Rot. Bonds20

About [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 160963661) has the molecular formula C67H80F12N22O4 and a molecular weight of 1485.50 g/mol. Its IUPAC name is [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID160963661
Molecular FormulaC67H80F12N22O4
Molecular Weight1485.50 g/mol
Exact Mass1484.65
IUPAC Name[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Cc1cc(N)n(-c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n1.Cc1cc(Nc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H22F3N5O.C17H20F3N5O.2C16H13F3N6O.6H2/c1-10(2)8-11(22)9-25-14-6-5-13(18(19,20)21)15(26-14)16(27)12-4-3-7-24-17(12)23;1-9(2)12(21)8-24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;1-8-7-11(20)25(24-8)12-5-4-10(16(17,18)19)13(23-12)14(26)9-3-2-6-22-15(9)21;1-8-7-12(25-24-8)22-11-5-4-10(16(17,18)19)13(23-11)14(26)9-3-2-6-21-15(9)20;;;;;;/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24)(H,25,26);3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);2-7H,20H2,1H3,(H2,21,22);2-7H,1H3,(H2,20,21)(H2,22,23,24,25);6*1H/t11-;12-;;;;;;;;/m01......../s1
InChIKeySXIGCGHUHPUPRH-YFUVUMRUSA-N
XLogP12.74
TPSA436.13 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001485.50
LogP ≤ 512.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-fluoro-3-pyridinyl)-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]methyl]phenyl]methanone
CID 58263826
(2-aminopyridin-3-yl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 67739875
1-[7-amino-3-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-[(2S,4R)-2-methyl-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71128424
1-[7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]-5-[(2S,4R)-2-methyl-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71128427
1-[7-amino-5-[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71135976
1-[7-amino-5-[(2S,4R)-1-(3-amino-1H-pyrazole-5-carbonyl)-2-methylpiperidin-4-yl]-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71136302
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-2-methylpyridine-3-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-3-carboxamide
CID 89049271
[5-fluoro-2-(1H-pyrazol-5-yl)pyridin-3-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 89748185
6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 91223644
1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 118629358
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122445408
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122445409

Frequently Asked Questions

What is the IUPAC name of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 160963661) is [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is CC(C)C[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Cc1cc(N)n(-c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n1.Cc1cc(Nc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)n[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is SXIGCGHUHPUPRH-YFUVUMRUSA-N. The full InChI is InChI=1S/C18H22F3N5O.C17H20F3N5O.2C16H13F3N6O.6H2/c1-10(2)8-11(22)9-25-14-6-5-13(18(19,20)21)15(26-14)16(27)12-4-3-7-24-17(12)23;1-9(2)12(21)8-24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;1-8-7-11(20)25(24-8)12-5-4-10(16(17,18)19)13(23-12)14(26)9-3-2-6-22-15(9)21;1-8-7-12(25-24-8)22-11-5-4-10(16(17,18)19)13(23-11)14(26)9-3-2-6-21-15(9)20;;;;;;/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24)(H,25,26);3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);2-7H,20H2,1H3,(H2,21,22);2-7H,1H3,(H2,20,21)(H2,22,23,24,25);6*1H/t11-;12-;;;;;;;;/m01......../s1.
What are the key properties of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1485.50 g/mol, XLogP of 12.74, 20 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-4-methylpentyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(5-amino-3-methylpyrazol-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 160963661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).