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

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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).