N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C38H32F3N9O3 — CID 165113804

IUPACN-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3c(-c4cnn(-c5cc(NC(=O)c6ccnc(C(F)(F)F)c6)ccc5C)c4)cnc23)cc1
InChIInChI=1S/C38H32F3N9O3/c1-24-4-9-29(47-37(51)27-14-15-42-34(16-27)38(39,40)41)17-32(24)49-22-28(18-45-49)33-19-43-36-35(44-23-46-50(33)36)48(20-25-5-10-30(52-2)11-6-25)21-26-7-12-31(53-3)13-8-26/h4-19,22-23H,20-21H2,1-3H3,(H,47,51)
InChIKeyFTSHIKGOSZJNSV-UHFFFAOYSA-N
MW719.73 g/mol
LogP7.18
Rot. Bonds11

About N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 165113804) has the molecular formula C38H32F3N9O3 and a molecular weight of 719.73 g/mol. Its IUPAC name is N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID165113804
Molecular FormulaC38H32F3N9O3
Molecular Weight719.73 g/mol
Exact Mass719.26
IUPAC NameN-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3c(-c4cnn(-c5cc(NC(=O)c6ccnc(C(F)(F)F)c6)ccc5C)c4)cnc23)cc1
InChIInChI=1S/C38H32F3N9O3/c1-24-4-9-29(47-37(51)27-14-15-42-34(16-27)38(39,40)41)17-32(24)49-22-28(18-45-49)33-19-43-36-35(44-23-46-50(33)36)48(20-25-5-10-30(52-2)11-6-25)21-26-7-12-31(53-3)13-8-26/h4-19,22-23H,20-21H2,1-3H3,(H,47,51)
InChIKeyFTSHIKGOSZJNSV-UHFFFAOYSA-N
XLogP7.18
TPSA124.59 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.73
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 165113796
4-ethyl-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
CID 141429638
N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 165113845
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688798
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 5-[5-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]pent-4-ynoate
CID 163255578
N-[5-[4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)pyrazol-1-yl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzamide
CID 165113807
N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155253624
N-[4-methyl-3-[4-[4-(1-methylsulfonylazetidin-3-yl)oxy-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688681

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 165113804) is N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3c(-c4cnn(-c5cc(NC(=O)c6ccnc(C(F)(F)F)c6)ccc5C)c4)cnc23)cc1.
What is the InChIKey of N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FTSHIKGOSZJNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32F3N9O3/c1-24-4-9-29(47-37(51)27-14-15-42-34(16-27)38(39,40)41)17-32(24)49-22-28(18-45-49)33-19-43-36-35(44-23-46-50(33)36)48(20-25-5-10-30(52-2)11-6-25)21-26-7-12-31(53-3)13-8-26/h4-19,22-23H,20-21H2,1-3H3,(H,47,51).
What are the key properties of N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 719.73 g/mol, XLogP of 7.18, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 165113804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).