2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide

C19H18FN7O2 — CID 71246901

IUPAC2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ncc3cnc(Nc4ccn(CCO)n4)cc32)c1F
InChIInChI=1S/C19H18FN7O2/c20-18-12(2-1-3-14(18)19(21)29)11-27-15-8-17(22-9-13(15)10-23-27)24-16-4-5-26(25-16)6-7-28/h1-5,8-10,28H,6-7,11H2,(H2,21,29)(H,22,24,25)
InChIKeyBEJIUHJITYKNKV-UHFFFAOYSA-N
MW395.40 g/mol
LogP1.65
Rot. Bonds7

About 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide

2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide (PubChem CID 71246901) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide
PubChem CID71246901
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ncc3cnc(Nc4ccn(CCO)n4)cc32)c1F
InChIInChI=1S/C19H18FN7O2/c20-18-12(2-1-3-14(18)19(21)29)11-27-15-8-17(22-9-13(15)10-23-27)24-16-4-5-26(25-16)6-7-28/h1-5,8-10,28H,6-7,11H2,(H2,21,29)(H,22,24,25)
InChIKeyBEJIUHJITYKNKV-UHFFFAOYSA-N
XLogP1.65
TPSA123.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide with MolForge

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Related Compounds

Sdccggsk-0000274.P001
CID 10272700
US9862707, Example 5
CID 118394045
2-(2-Methoxyethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 137644714
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
5-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57403758
4-[4-amino-1-[(4R)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901411
2,2,2-trifluoro-1-[5-[[6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyridin-2-yl]amino]-1-methylindol-3-yl]ethanone
CID 89850703
US10040779, Example 77
CID 90216618
US9605005, Example 71
CID 117911769
US9873709, Example 2-279
CID 117950532
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538984
2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122609287

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide (CID 71246901) is 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide is NC(=O)c1cccc(Cn2ncc3cnc(Nc4ccn(CCO)n4)cc32)c1F.
What is the InChIKey of 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide?
The InChIKey is BEJIUHJITYKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c20-18-12(2-1-3-14(18)19(21)29)11-27-15-8-17(22-9-13(15)10-23-27)24-16-4-5-26(25-16)6-7-28/h1-5,8-10,28H,6-7,11H2,(H2,21,29)(H,22,24,25).
What are the key properties of 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide?
2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide has a molecular weight of 395.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 71246901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).