N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide

C20H21F3N6O2 — CID 74538983

IUPACN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)N4CCCC4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H21F3N6O2/c1-13-8-14(9-25-18(13)31-12-20(21,22)23)10-29-11-15-16(27-29)4-5-24-17(15)26-19(30)28-6-2-3-7-28/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,24,26,30)
InChIKeyPALORXUIRBQQLI-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.75
Rot. Bonds5

About N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide

N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 74538983) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide
PubChem CID74538983
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)N4CCCC4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H21F3N6O2/c1-13-8-14(9-25-18(13)31-12-20(21,22)23)10-29-11-15-16(27-29)4-5-24-17(15)26-19(30)28-6-2-3-7-28/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,24,26,30)
InChIKeyPALORXUIRBQQLI-UHFFFAOYSA-N
XLogP3.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide (CID 74538983) is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide is Cc1cc(Cn2cc3c(NC(=O)N4CCCC4)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is PALORXUIRBQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-13-8-14(9-25-18(13)31-12-20(21,22)23)10-29-11-15-16(27-29)4-5-24-17(15)26-19(30)28-6-2-3-7-28/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,24,26,30).
What are the key properties of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide?
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 74538983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).