[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C58H84F9N15O3 — CID 157457249

IUPAC[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(N2CCNC(C3CC3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNC(CC3CC3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H22F3N5O.C19H20F3N5O.C19H24F3N5O.9H2/c21-20(22,23)15-5-6-16(28-9-8-25-13(11-28)10-12-3-4-12)27-17(15)18(29)14-2-1-7-26-19(14)24;20-19(21,22)13-5-6-15(27-9-8-24-14(10-27)11-3-4-11)26-16(13)17(28)12-2-1-7-25-18(12)23;1-11(2)9-18(3,24)10-26-14-7-6-13(19(20,21)22)15(27-14)16(28)12-5-4-8-25-17(12)23;;;;;;;;;/h1-2,5-7,12-13,25H,3-4,8-11H2,(H2,24,26);1-2,5-7,11,14,24H,3-4,8-10H2,(H2,23,25);4-8,11H,9-10,24H2,1-3H3,(H2,23,25)(H,26,27);9*1H
InChIKeyBTMUYKOPRBRBDQ-UHFFFAOYSA-N
MW1210.39 g/mol
LogP11.08
Rot. Bonds16

About [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157457249) has the molecular formula C58H84F9N15O3 and a molecular weight of 1210.39 g/mol. Its IUPAC name is [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157457249
Molecular FormulaC58H84F9N15O3
Molecular Weight1210.39 g/mol
Exact Mass1209.67
IUPAC Name[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(N2CCNC(C3CC3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNC(CC3CC3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H22F3N5O.C19H20F3N5O.C19H24F3N5O.9H2/c21-20(22,23)15-5-6-16(28-9-8-25-13(11-28)10-12-3-4-12)27-17(15)18(29)14-2-1-7-26-19(14)24;20-19(21,22)13-5-6-15(27-9-8-24-14(10-27)11-3-4-11)26-16(13)17(28)12-2-1-7-25-18(12)23;1-11(2)9-18(3,24)10-26-14-7-6-13(19(20,21)22)15(27-14)16(28)12-5-4-8-25-17(12)23;;;;;;;;;/h1-2,5-7,12-13,25H,3-4,8-11H2,(H2,24,26);1-2,5-7,11,14,24H,3-4,8-10H2,(H2,23,25);4-8,11H,9-10,24H2,1-3H3,(H2,23,25)(H,26,27);9*1H
InChIKeyBTMUYKOPRBRBDQ-UHFFFAOYSA-N
XLogP11.08
TPSA275.20 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.39
LogP ≤ 511.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24993483
(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993785
(2-amino-3-pyridinyl)-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993787
(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24994105
(2-Amino-3-pyridinyl)-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24994106
(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995040
(S)-(2-aminopyridin-3-yl)(6-(3-isobutylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)methanone
CID 24995659
(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690468
(2-amino-3-pyridinyl)-[6-[(3R)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690486
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone
CID 57690510
(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690683

Frequently Asked Questions

What is the IUPAC name of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 157457249) is [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is CC(C)CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(N2CCNC(C3CC3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNC(CC3CC3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is BTMUYKOPRBRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O.C19H20F3N5O.C19H24F3N5O.9H2/c21-20(22,23)15-5-6-16(28-9-8-25-13(11-28)10-12-3-4-12)27-17(15)18(29)14-2-1-7-26-19(14)24;20-19(21,22)13-5-6-15(27-9-8-24-14(10-27)11-3-4-11)26-16(13)17(28)12-2-1-7-25-18(12)23;1-11(2)9-18(3,24)10-26-14-7-6-13(19(20,21)22)15(27-14)16(28)12-5-4-8-25-17(12)23;;;;;;;;;/h1-2,5-7,12-13,25H,3-4,8-11H2,(H2,24,26);1-2,5-7,11,14,24H,3-4,8-10H2,(H2,23,25);4-8,11H,9-10,24H2,1-3H3,(H2,23,25)(H,26,27);9*1H.
What are the key properties of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1210.39 g/mol, XLogP of 11.08, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(cyclopropylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157457249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).