(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

C57H80F9N13O5 — CID 157195363

IUPAC(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
SMILESCC(COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C1CCOCC1.CCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CCCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H22F3N3O3.C19H22F3N5O.C18H20F3N5O.8H2/c1-12(13-6-9-28-10-7-13)11-29-16-5-4-15(20(21,22)23)17(26-16)18(27)14-3-2-8-25-19(14)24;1-2-4-12-11-27(10-9-24-12)15-7-6-14(19(20,21)22)16(26-15)17(28)13-5-3-8-25-18(13)23;1-2-11-10-26(9-8-23-11)14-6-5-13(18(19,20)21)15(25-14)16(27)12-4-3-7-24-17(12)22;;;;;;;;/h2-5,8,12-13H,6-7,9-11H2,1H3,(H2,24,25);3,5-8,12,24H,2,4,9-11H2,1H3,(H2,23,25);3-7,11,23H,2,8-10H2,1H3,(H2,22,24);8*1H
InChIKeyAQEKIBALDGDBIT-UHFFFAOYSA-N
MW1198.33 g/mol
LogP11.10
Rot. Bonds15

About (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

(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 (PubChem CID 157195363) has the molecular formula C57H80F9N13O5 and a molecular weight of 1198.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157195363
Molecular FormulaC57H80F9N13O5
Molecular Weight1198.33 g/mol
Exact Mass1197.63
IUPAC Name(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
SMILESCC(COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C1CCOCC1.CCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CCCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H22F3N3O3.C19H22F3N5O.C18H20F3N5O.8H2/c1-12(13-6-9-28-10-7-13)11-29-16-5-4-15(20(21,22)23)17(26-16)18(27)14-3-2-8-25-19(14)24;1-2-4-12-11-27(10-9-24-12)15-7-6-14(19(20,21)22)16(26-15)17(28)13-5-3-8-25-18(13)23;1-2-11-10-26(9-8-23-11)14-6-5-13(18(19,20)21)15(25-14)16(27)12-4-3-7-24-17(12)22;;;;;;;;/h2-5,8,12-13H,6-7,9-11H2,1H3,(H2,24,25);3,5-8,12,24H,2,4,9-11H2,1H3,(H2,23,25);3-7,11,23H,2,8-10H2,1H3,(H2,22,24);8*1H
InChIKeyAQEKIBALDGDBIT-UHFFFAOYSA-N
XLogP11.10
TPSA255.61 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001198.33
LogP ≤ 511.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249337
(2-Aminopyridin-3-yl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994418
[6-(3-Amino-3-phenylpropoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816616
[6-[2-Amino-2-(oxan-4-yl)ethoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816955
[6-(2-Amino-2-phenylbutoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44817132
[6-[(2S)-2-amino-3,3-dimethylbutoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 45107866
2-{[2-(1-Methyl-piperidin-4-ylmethoxy)-pyridin-4-ylmethyl]-amino}-N-[3-(1-methyl-piperidin-4-yl)-5-trifluoromethyl-phenyl]-nicotinamide
CID 53628779
[6-(2-Amino-2-phenylethoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690666
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690821
[6-[3-(3-Methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207385
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207395

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)C1CCOCC1.CCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CCCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (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?
The InChIKey is AQEKIBALDGDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3.C19H22F3N5O.C18H20F3N5O.8H2/c1-12(13-6-9-28-10-7-13)11-29-16-5-4-15(20(21,22)23)17(26-16)18(27)14-3-2-8-25-19(14)24;1-2-4-12-11-27(10-9-24-12)15-7-6-14(19(20,21)22)16(26-15)17(28)13-5-3-8-25-18(13)23;1-2-11-10-26(9-8-23-11)14-6-5-13(18(19,20)21)15(25-14)16(27)12-4-3-7-24-17(12)22;;;;;;;;/h2-5,8,12-13H,6-7,9-11H2,1H3,(H2,24,25);3,5-8,12,24H,2,4,9-11H2,1H3,(H2,23,25);3-7,11,23H,2,8-10H2,1H3,(H2,22,24);8*1H.
What are the key properties of (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?
(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 has a molecular weight of 1198.33 g/mol, XLogP of 11.10, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157195363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).