methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate

C19H18FN7O2 — CID 45107808

IUPACmethyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate
SMILESCOC(=O)NC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C19H18FN7O2/c1-11-10-15(25-24-11)21-17-14-4-3-9-27(14)26-18(23-17)16(22-19(28)29-2)12-5-7-13(20)8-6-12/h3-10,16H,1-2H3,(H,22,28)(H2,21,23,24,25,26)
InChIKeyOHUQCALQRQXDQU-UHFFFAOYSA-N
MW395.40 g/mol
LogP3.09
Rot. Bonds5

About methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate

methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate (PubChem CID 45107808) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate
PubChem CID45107808
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Namemethyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate
SMILESCOC(=O)NC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C19H18FN7O2/c1-11-10-15(25-24-11)21-17-14-4-3-9-27(14)26-18(23-17)16(22-19(28)29-2)12-5-7-13(20)8-6-12/h3-10,16H,1-2H3,(H,22,28)(H2,21,23,24,25,26)
InChIKeyOHUQCALQRQXDQU-UHFFFAOYSA-N
XLogP3.09
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate (CID 45107808) is methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate is COC(=O)NC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.
What is the InChIKey of methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate?
The InChIKey is OHUQCALQRQXDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-11-10-15(25-24-11)21-17-14-4-3-9-27(14)26-18(23-17)16(22-19(28)29-2)12-5-7-13(20)8-6-12/h3-10,16H,1-2H3,(H,22,28)(H2,21,23,24,25,26).
What are the key properties of methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate?
methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate has a molecular weight of 395.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate is sourced from PubChem (CID 45107808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).