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

C18H19F2N5O2 — CID 74539180

IUPACN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)Nc1nccc2nn(Cc3cnc(OCC(F)F)c(C)c3)cc12
InChIInChI=1S/C18H19F2N5O2/c1-3-16(26)23-17-13-9-25(24-14(13)4-5-21-17)8-12-6-11(2)18(22-7-12)27-10-15(19)20/h4-7,9,15H,3,8,10H2,1-2H3,(H,21,23,26)
InChIKeyBWHWPPBASXHOKC-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.18
Rot. Bonds7

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

N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (PubChem CID 74539180) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
PubChem CID74539180
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC NameN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)Nc1nccc2nn(Cc3cnc(OCC(F)F)c(C)c3)cc12
InChIInChI=1S/C18H19F2N5O2/c1-3-16(26)23-17-13-9-25(24-14(13)4-5-21-17)8-12-6-11(2)18(22-7-12)27-10-15(19)20/h4-7,9,15H,3,8,10H2,1-2H3,(H,21,23,26)
InChIKeyBWHWPPBASXHOKC-UHFFFAOYSA-N
XLogP3.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]propanamide?
The IUPAC name of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide (CID 74539180) is N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide is CCC(=O)Nc1nccc2nn(Cc3cnc(OCC(F)F)c(C)c3)cc12.
What is the InChIKey of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is BWHWPPBASXHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-3-16(26)23-17-13-9-25(24-14(13)4-5-21-17)8-12-6-11(2)18(22-7-12)27-10-15(19)20/h4-7,9,15H,3,8,10H2,1-2H3,(H,21,23,26).
What are the key properties of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide?
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 375.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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]propanamide is sourced from PubChem (CID 74539180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).