N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide

C19H21F2N5O3 — CID 74539182

IUPACN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)cnc1OCC(F)F
InChIInChI=1S/C19H21F2N5O3/c1-11-6-12(7-23-17(11)29-10-15(20)21)8-26-9-13-14(25-26)4-5-22-16(13)24-18(27)19(2,3)28/h4-7,9,15,28H,8,10H2,1-3H3,(H,22,24,27)
InChIKeyJJQBJBYJKJKFPX-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.54
Rot. Bonds7

About N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide

N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 74539182) has the molecular formula C19H21F2N5O3 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
PubChem CID74539182
Molecular FormulaC19H21F2N5O3
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC NameN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)cnc1OCC(F)F
InChIInChI=1S/C19H21F2N5O3/c1-11-6-12(7-23-17(11)29-10-15(20)21)8-26-9-13-14(25-26)4-5-22-16(13)24-18(27)19(2,3)28/h4-7,9,15,28H,8,10H2,1-3H3,(H,22,24,27)
InChIKeyJJQBJBYJKJKFPX-UHFFFAOYSA-N
XLogP2.54
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (CID 74539182) is N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is Cc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)cnc1OCC(F)F.
What is the InChIKey of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is JJQBJBYJKJKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3/c1-11-6-12(7-23-17(11)29-10-15(20)21)8-26-9-13-14(25-26)4-5-22-16(13)24-18(27)19(2,3)28/h4-7,9,15,28H,8,10H2,1-3H3,(H,22,24,27).
What are the key properties of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 405.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 74539182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).