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

C19H20ClF2N5O2 — CID 90118905

IUPACN-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nccc2nn(Cc3cnc(OCC(C)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C19H20ClF2N5O2/c1-11(2)17(28)25-16-13-9-27(26-15(13)4-5-23-16)8-12-6-14(20)18(24-7-12)29-10-19(3,21)22/h4-7,9,11H,8,10H2,1-3H3,(H,23,25,28)
InChIKeyKJEAFEOYICLYNH-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.16
Rot. Bonds7

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

N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide (PubChem CID 90118905) has the molecular formula C19H20ClF2N5O2 and a molecular weight of 423.85 g/mol. Its IUPAC name is N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
PubChem CID90118905
Molecular FormulaC19H20ClF2N5O2
Molecular Weight423.85 g/mol
Exact Mass423.13
IUPAC NameN-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nccc2nn(Cc3cnc(OCC(C)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C19H20ClF2N5O2/c1-11(2)17(28)25-16-13-9-27(26-15(13)4-5-23-16)8-12-6-14(20)18(24-7-12)29-10-19(3,21)22/h4-7,9,11H,8,10H2,1-3H3,(H,23,25,28)
InChIKeyKJEAFEOYICLYNH-UHFFFAOYSA-N
XLogP4.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
CID 74539318
N-[2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
CID 90118945
N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 74539253
2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 90118874
2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119151
N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118927
2-methyl-N-[2-[[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 90119026
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539473
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
CID 74539182
(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide
CID 74538922
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 74539180
N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
CID 90119549

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide (CID 90118905) is N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-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-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nccc2nn(Cc3cnc(OCC(C)(F)F)c(Cl)c3)cc12.
What is the InChIKey of N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
The InChIKey is KJEAFEOYICLYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N5O2/c1-11(2)17(28)25-16-13-9-27(26-15(13)4-5-23-16)8-12-6-14(20)18(24-7-12)29-10-19(3,21)22/h4-7,9,11H,8,10H2,1-3H3,(H,23,25,28).
What are the key properties of N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide?
N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide has a molecular weight of 423.85 g/mol, XLogP of 4.16, 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-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 90118905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).