N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide

C20H21F2N5O2 — CID 74539925

IUPACN-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(C(C)n2cc3c(NC(=O)C4CC4)nccc3n2)cnc1OCC(F)F
InChIInChI=1S/C20H21F2N5O2/c1-11-7-14(8-24-20(11)29-10-17(21)22)12(2)27-9-15-16(26-27)5-6-23-18(15)25-19(28)13-3-4-13/h5-9,12-13,17H,3-4,10H2,1-2H3,(H,23,25,28)
InChIKeyFWWSLUGYPXRWDY-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.74
Rot. Bonds7

About N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 74539925) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID74539925
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC NameN-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCc1cc(C(C)n2cc3c(NC(=O)C4CC4)nccc3n2)cnc1OCC(F)F
InChIInChI=1S/C20H21F2N5O2/c1-11-7-14(8-24-20(11)29-10-17(21)22)12(2)27-9-15-16(26-27)5-6-23-18(15)25-19(28)13-3-4-13/h5-9,12-13,17H,3-4,10H2,1-2H3,(H,23,25,28)
InChIKeyFWWSLUGYPXRWDY-UHFFFAOYSA-N
XLogP3.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide (CID 74539925) is N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is Cc1cc(C(C)n2cc3c(NC(=O)C4CC4)nccc3n2)cnc1OCC(F)F.
What is the InChIKey of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is FWWSLUGYPXRWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-11-7-14(8-24-20(11)29-10-17(21)22)12(2)27-9-15-16(26-27)5-6-23-18(15)25-19(28)13-3-4-13/h5-9,12-13,17H,3-4,10H2,1-2H3,(H,23,25,28).
What are the key properties of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 74539925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).