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

C18H18ClF2N5O2 — CID 74539318

IUPACN-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nccc2nn(Cc3cnc(OCC(F)F)c(Cl)c3)cc12
InChIInChI=1S/C18H18ClF2N5O2/c1-10(2)17(27)24-16-12-8-26(25-14(12)3-4-22-16)7-11-5-13(19)18(23-6-11)28-9-15(20)21/h3-6,8,10,15H,7,9H2,1-2H3,(H,22,24,27)
InChIKeyPXXQMGJXFVMHIX-UHFFFAOYSA-N
MW409.82 g/mol
LogP3.77
Rot. Bonds7

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

N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide (PubChem CID 74539318) has the molecular formula C18H18ClF2N5O2 and a molecular weight of 409.82 g/mol. Its IUPAC name is N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
PubChem CID74539318
Molecular FormulaC18H18ClF2N5O2
Molecular Weight409.82 g/mol
Exact Mass409.11
IUPAC NameN-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nccc2nn(Cc3cnc(OCC(F)F)c(Cl)c3)cc12
InChIInChI=1S/C18H18ClF2N5O2/c1-10(2)17(27)24-16-12-8-26(25-14(12)3-4-22-16)7-11-5-13(19)18(23-6-11)28-9-15(20)21/h3-6,8,10,15H,7,9H2,1-2H3,(H,22,24,27)
InChIKeyPXXQMGJXFVMHIX-UHFFFAOYSA-N
XLogP3.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide (CID 74539318) is N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nccc2nn(Cc3cnc(OCC(F)F)c(Cl)c3)cc12.
What is the InChIKey of N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
The InChIKey is PXXQMGJXFVMHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N5O2/c1-10(2)17(27)24-16-12-8-26(25-14(12)3-4-22-16)7-11-5-13(19)18(23-6-11)28-9-15(20)21/h3-6,8,10,15H,7,9H2,1-2H3,(H,22,24,27).
What are the key properties of N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide has a molecular weight of 409.82 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 74539318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).