5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide

C20H19ClF3N5O2 — CID 155539805

IUPAC5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1c(Cl)ccc2[nH]ccc12
InChIInChI=1S/C20H19ClF3N5O2/c21-14-1-2-15-13(3-4-25-15)17(14)18(30)26-11-16(29-5-7-31-8-6-29)12-9-27-19(28-10-12)20(22,23)24/h1-4,9-10,16,25H,5-8,11H2,(H,26,30)
InChIKeyKIMWAYXJZAYMIJ-UHFFFAOYSA-N
MW453.85 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide

5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide (PubChem CID 155539805) has the molecular formula C20H19ClF3N5O2 and a molecular weight of 453.85 g/mol. Its IUPAC name is 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide
PubChem CID155539805
Molecular FormulaC20H19ClF3N5O2
Molecular Weight453.85 g/mol
Exact Mass453.12
IUPAC Name5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1c(Cl)ccc2[nH]ccc12
InChIInChI=1S/C20H19ClF3N5O2/c21-14-1-2-15-13(3-4-25-15)17(14)18(30)26-11-16(29-5-7-31-8-6-29)12-9-27-19(28-10-12)20(22,23)24/h1-4,9-10,16,25H,5-8,11H2,(H,26,30)
InChIKeyKIMWAYXJZAYMIJ-UHFFFAOYSA-N
XLogP3.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(cyclopropylamino)-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 58227894
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(methylamino)quinoline-5-carboxamide
CID 58227950
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(4-methylpiperazin-1-yl)quinoline-5-carboxamide
CID 58228090
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide
CID 58228091
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(2-hydroxyethylamino)quinoline-5-carboxamide
CID 58228418
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(4-hydroxypiperidin-1-yl)quinoline-5-carboxamide
CID 58228496
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide
CID 58228512
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73330891
2-amino-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 88884677
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-morpholin-4-ylquinoline-5-carboxamide
CID 88954244
[5-Chloro-6-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylindol-3-yl]-morpholin-4-ylmethanone
CID 71577980
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 118720156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide (CID 155539805) is 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide is O=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1c(Cl)ccc2[nH]ccc12.
What is the InChIKey of 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide?
The InChIKey is KIMWAYXJZAYMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2/c21-14-1-2-15-13(3-4-25-15)17(14)18(30)26-11-16(29-5-7-31-8-6-29)12-9-27-19(28-10-12)20(22,23)24/h1-4,9-10,16,25H,5-8,11H2,(H,26,30).
What are the key properties of 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide?
5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide has a molecular weight of 453.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 155539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).