N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide

C24H25FN6O3 — CID 21081793

IUPACN-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide
SMILESCc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12
InChIInChI=1S/C24H25FN6O3/c1-16-21(33-11-5-10-30(2)3)14-31-22(16)24(27-15-28-31)34-20-8-7-18(12-19(20)25)29-23(32)17-6-4-9-26-13-17/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,29,32)
InChIKeyLYUZVGOQWISIPF-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.95
Rot. Bonds9

About N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide

N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide (PubChem CID 21081793) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide
PubChem CID21081793
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC NameN-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide
SMILESCc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12
InChIInChI=1S/C24H25FN6O3/c1-16-21(33-11-5-10-30(2)3)14-31-22(16)24(27-15-28-31)34-20-8-7-18(12-19(20)25)29-23(32)17-6-4-9-26-13-17/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,29,32)
InChIKeyLYUZVGOQWISIPF-UHFFFAOYSA-N
XLogP3.95
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]-2,6-difluorobenzamide;hydrochloride
CID 172860741
2-fluoro-N-[3-fluoro-4-[5-methyl-6-(2-morpholin-4-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-5-methylbenzamide;hydrochloride
CID 172696293
N-[3-fluoro-4-[5-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-2,4-dimethoxybenzamide
CID 11721060
2-cyclopropyl-N-[[3-fluoro-4-[5-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]acetamide
CID 21081468
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
N'-[3-fluoro-4-[5-methyl-6-[(2-morpholin-4-ylethylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-N-(4-fluorophenyl)propanediamide
CID 58799074
3-(dimethylamino)propyl pyridine-3-carboxylate
CID 141402583
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
1-N'-[2-fluoro-4-[5-methyl-6-(3-methylsulfonylpropoxy)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 78426734

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide (CID 21081793) is N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide is Cc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12.
What is the InChIKey of N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide?
The InChIKey is LYUZVGOQWISIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-16-21(33-11-5-10-30(2)3)14-31-22(16)24(27-15-28-31)34-20-8-7-18(12-19(20)25)29-23(32)17-6-4-9-26-13-17/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,29,32).
What are the key properties of N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide?
N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 21081793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).