2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide

C20H22F3N5O2 — CID 90119078

IUPAC2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NC(C)C)nccc3n2)cnc1OCCC(F)(F)F
InChIInChI=1S/C20H22F3N5O2/c1-12(2)26-18(29)17-15-11-28(27-16(15)4-6-24-17)10-14-8-13(3)19(25-9-14)30-7-5-20(21,22)23/h4,6,8-9,11-12H,5,7,10H2,1-3H3,(H,26,29)
InChIKeyAFYNQFYZXGKLOG-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.65
Rot. Bonds7

About 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide

2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119078) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90119078
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NC(C)C)nccc3n2)cnc1OCCC(F)(F)F
InChIInChI=1S/C20H22F3N5O2/c1-12(2)26-18(29)17-15-11-28(27-16(15)4-6-24-17)10-14-8-13(3)19(25-9-14)30-7-5-20(21,22)23/h4,6,8-9,11-12H,5,7,10H2,1-3H3,(H,26,29)
InChIKeyAFYNQFYZXGKLOG-UHFFFAOYSA-N
XLogP3.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118891
N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118652
N-[(2S)-1-hydroxypropan-2-yl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119273
N-[(2R)-1-hydroxypropan-2-yl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 74539868
N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118556
N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119175
N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118615
N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118944
N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119186
2-[(6-cyclobutyloxy-5-methyl-3-pyridinyl)methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119450
N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118962
N-ethyl-2-[[6-(4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118488

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119078) is 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NC(C)C)nccc3n2)cnc1OCCC(F)(F)F.
What is the InChIKey of 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is AFYNQFYZXGKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-12(2)26-18(29)17-15-11-28(27-16(15)4-6-24-17)10-14-8-13(3)19(25-9-14)30-7-5-20(21,22)23/h4,6,8-9,11-12H,5,7,10H2,1-3H3,(H,26,29).
What are the key properties of 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide?
2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).