4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide

C21H22F2N4O2 — CID 175435808

IUPAC4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1
InChIInChI=1S/C21H22F2N4O2/c1-12(2)10-25-20(28)17-9-13(7-8-24-17)15-5-6-18(29-21(22)23)19-16(15)11-27(26-19)14-3-4-14/h5-9,11-12,14,21H,3-4,10H2,1-2H3,(H,25,28)
InChIKeyLXUYYLDPAKNASP-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.42
Rot. Bonds7

About 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide

4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 175435808) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID175435808
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1
InChIInChI=1S/C21H22F2N4O2/c1-12(2)10-25-20(28)17-9-13(7-8-24-17)15-5-6-18(29-21(22)23)19-16(15)11-27(26-19)14-3-4-14/h5-9,11-12,14,21H,3-4,10H2,1-2H3,(H,25,28)
InChIKeyLXUYYLDPAKNASP-UHFFFAOYSA-N
XLogP4.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 175435808) is 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1.
What is the InChIKey of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is LXUYYLDPAKNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-12(2)10-25-20(28)17-9-13(7-8-24-17)15-5-6-18(29-21(22)23)19-16(15)11-27(26-19)14-3-4-14/h5-9,11-12,14,21H,3-4,10H2,1-2H3,(H,25,28).
What are the key properties of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide?
4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 175435808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).