N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C23H18FN9 — CID 171803344

IUPACN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc2c(NCc3ccc(-c4ccnc5nc(-c6cn[nH]c6)[nH]c45)cc3F)ncnn2c1
InChIInChI=1S/C23H18FN9/c1-13-6-19-22(27-12-30-33(19)11-13)26-8-15-3-2-14(7-18(15)24)17-4-5-25-23-20(17)31-21(32-23)16-9-28-29-10-16/h2-7,9-12H,8H2,1H3,(H,28,29)(H,25,31,32)(H,26,27,30)
InChIKeyFLDWTEICGBJACM-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.12
Rot. Bonds5

About N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 171803344) has the molecular formula C23H18FN9 and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID171803344
Molecular FormulaC23H18FN9
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC NameN-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc2c(NCc3ccc(-c4ccnc5nc(-c6cn[nH]c6)[nH]c45)cc3F)ncnn2c1
InChIInChI=1S/C23H18FN9/c1-13-6-19-22(27-12-30-33(19)11-13)26-8-15-3-2-14(7-18(15)24)17-4-5-25-23-20(17)31-21(32-23)16-9-28-29-10-16/h2-7,9-12H,8H2,1H3,(H,28,29)(H,25,31,32)(H,26,27,30)
InChIKeyFLDWTEICGBJACM-UHFFFAOYSA-N
XLogP4.12
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 171803344) is N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc2c(NCc3ccc(-c4ccnc5nc(-c6cn[nH]c6)[nH]c45)cc3F)ncnn2c1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FLDWTEICGBJACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN9/c1-13-6-19-22(27-12-30-33(19)11-13)26-8-15-3-2-14(7-18(15)24)17-4-5-25-23-20(17)31-21(32-23)16-9-28-29-10-16/h2-7,9-12H,8H2,1H3,(H,28,29)(H,25,31,32)(H,26,27,30).
What are the key properties of N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 439.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 171803344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).