N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C21H25FN4O3 — CID 170402968

IUPACN-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nn2ccc(OCc3ccccn3)cc2c1C(=O)NC(CO)CC(C)(C)F
InChIInChI=1S/C21H25FN4O3/c1-14-19(20(28)24-16(12-27)11-21(2,3)22)18-10-17(7-9-26(18)25-14)29-13-15-6-4-5-8-23-15/h4-10,16,27H,11-13H2,1-3H3,(H,24,28)
InChIKeyZEPGXCQOVMGNGF-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.85
Rot. Bonds8

About N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170402968) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170402968
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nn2ccc(OCc3ccccn3)cc2c1C(=O)NC(CO)CC(C)(C)F
InChIInChI=1S/C21H25FN4O3/c1-14-19(20(28)24-16(12-27)11-21(2,3)22)18-10-17(7-9-26(18)25-14)29-13-15-6-4-5-8-23-15/h4-10,16,27H,11-13H2,1-3H3,(H,24,28)
InChIKeyZEPGXCQOVMGNGF-UHFFFAOYSA-N
XLogP2.85
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170402968) is N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nn2ccc(OCc3ccccn3)cc2c1C(=O)NC(CO)CC(C)(C)F.
What is the InChIKey of N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZEPGXCQOVMGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14-19(20(28)24-16(12-27)11-21(2,3)22)18-10-17(7-9-26(18)25-14)29-13-15-6-4-5-8-23-15/h4-10,16,27H,11-13H2,1-3H3,(H,24,28).
What are the key properties of N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170402968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).