N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide

C25H25FN6O3 — CID 175750648

IUPACN-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCOCC3)n3ncnc(N)c23)cc1
InChIInChI=1S/C25H25FN6O3/c1-34-20-7-6-18(26)12-19(20)25(33)28-13-15-2-4-16(5-3-15)21-22-23(27)29-14-30-32(22)24(31-21)17-8-10-35-11-9-17/h2-7,12,14,17H,8-11,13H2,1H3,(H,28,33)(H2,27,29,30)
InChIKeyOAZBEUABNLVACT-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.35
Rot. Bonds6

About N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 175750648) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID175750648
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC NameN-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCOCC3)n3ncnc(N)c23)cc1
InChIInChI=1S/C25H25FN6O3/c1-34-20-7-6-18(26)12-19(20)25(33)28-13-15-2-4-16(5-3-15)21-22-23(27)29-14-30-32(22)24(31-21)17-8-10-35-11-9-17/h2-7,12,14,17H,8-11,13H2,1H3,(H,28,33)(H2,27,29,30)
InChIKeyOAZBEUABNLVACT-UHFFFAOYSA-N
XLogP3.35
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
N-[[4-[8-amino-3-(oxan-3-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-(trideuteriomethoxy)benzamide
CID 168817921
N-[[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851109
N-[[4-[8-amino-3-[1-(trifluoromethyl)cyclopropyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168817889
3-amino-2-[(1S,2S)-2-fluorocyclopropyl]-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288177
N-[[4-[5-amino-4-cyano-1-[1-(oxan-4-yl)ethyl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358593
N-[[4-[5-amino-4-cyano-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358779
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
N-[[4-[4-amino-7-(4-hydroxycyclohexyl)pyrrolo[3,2-d]pyrimidin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 167439428
N-[[4-[4-amino-1-[1-(4-formylphenyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851246
6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 164900727
N-[[4-[5-amino-4-cyano-1-[(3R)-oxan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358646

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 175750648) is N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCOCC3)n3ncnc(N)c23)cc1.
What is the InChIKey of N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is OAZBEUABNLVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-34-20-7-6-18(26)12-19(20)25(33)28-13-15-2-4-16(5-3-15)21-22-23(27)29-14-30-32(22)24(31-21)17-8-10-35-11-9-17/h2-7,12,14,17H,8-11,13H2,1H3,(H,28,33)(H2,27,29,30).
What are the key properties of N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 476.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 175750648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).