phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate

C24H21F3N6O3 — CID 123600498

IUPACphenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate
SMILESCc1cc2c(N3CCOCC3)nc(-c3cnc(NC(=O)Oc4ccccc4)cc3C(F)(F)F)nn2c1
InChIInChI=1S/C24H21F3N6O3/c1-15-11-19-22(32-7-9-35-10-8-32)30-21(31-33(19)14-15)17-13-28-20(12-18(17)24(25,26)27)29-23(34)36-16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,28,29,34)
InChIKeyAUEOTOVGVCHQFQ-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.57
Rot. Bonds4

About phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate

phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate (PubChem CID 123600498) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate
PubChem CID123600498
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC Namephenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate
SMILESCc1cc2c(N3CCOCC3)nc(-c3cnc(NC(=O)Oc4ccccc4)cc3C(F)(F)F)nn2c1
InChIInChI=1S/C24H21F3N6O3/c1-15-11-19-22(32-7-9-35-10-8-32)30-21(31-33(19)14-15)17-13-28-20(12-18(17)24(25,26)27)29-23(34)36-16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,28,29,34)
InChIKeyAUEOTOVGVCHQFQ-UHFFFAOYSA-N
XLogP4.57
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-1-[4-[4-[[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57390492
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(3-morpholin-4-yl-phenyl)-amine
CID 57399415
US9765058, Example 2-2-10
CID 86580572
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661
N-[[3-fluoro-4-[5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081481
N-[[3-fluoro-4-[5-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081488
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 54767085
[3-(10-Morpholin-4-yl-1,6,11,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-12-yl)phenyl] acetate
CID 56834969
[3-(10-Morpholin-4-yl-1,6,11,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-12-yl)phenyl] 2-propylpentanoate
CID 56834970
[3-(10-Morpholin-4-yl-1,6,11,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-12-yl)phenyl] prop-2-enoate
CID 56834971
2-[4-[4-[[7-(3-Methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57394384

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
The IUPAC name of phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate (CID 123600498) is phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate is Cc1cc2c(N3CCOCC3)nc(-c3cnc(NC(=O)Oc4ccccc4)cc3C(F)(F)F)nn2c1.
What is the InChIKey of phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
The InChIKey is AUEOTOVGVCHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O3/c1-15-11-19-22(32-7-9-35-10-8-32)30-21(31-33(19)14-15)17-13-28-20(12-18(17)24(25,26)27)29-23(34)36-16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,28,29,34).
What are the key properties of phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate?
phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate has a molecular weight of 498.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(6-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 123600498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).