N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide

C19H25F2N5O — CID 166276974

IUPACN-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1ncc2nc(C(F)F)c(C(=O)NC3CCCCC34CCCNC4)cc21
InChIInChI=1S/C19H25F2N5O/c1-26-14-9-12(16(17(20)21)24-13(14)10-23-26)18(27)25-15-5-2-3-6-19(15)7-4-8-22-11-19/h9-10,15,17,22H,2-8,11H2,1H3,(H,25,27)
InChIKeyOENATDZUFKEHNR-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.95
Rot. Bonds3

About N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide

N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 166276974) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide
PubChem CID166276974
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1ncc2nc(C(F)F)c(C(=O)NC3CCCCC34CCCNC4)cc21
InChIInChI=1S/C19H25F2N5O/c1-26-14-9-12(16(17(20)21)24-13(14)10-23-26)18(27)25-15-5-2-3-6-19(15)7-4-8-22-11-19/h9-10,15,17,22H,2-8,11H2,1H3,(H,25,27)
InChIKeyOENATDZUFKEHNR-UHFFFAOYSA-N
XLogP2.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide (CID 166276974) is N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide is Cn1ncc2nc(C(F)F)c(C(=O)NC3CCCCC34CCCNC4)cc21.
What is the InChIKey of N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OENATDZUFKEHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O/c1-26-14-9-12(16(17(20)21)24-13(14)10-23-26)18(27)25-15-5-2-3-6-19(15)7-4-8-22-11-19/h9-10,15,17,22H,2-8,11H2,1H3,(H,25,27).
What are the key properties of N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide?
N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 166276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).