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

C20H20F3N5O3 — CID 74538922

IUPAC(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)[C@@H]4CCCO4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H20F3N5O3/c1-12-7-13(8-25-19(12)31-11-20(21,22)23)9-28-10-14-15(27-28)4-5-24-17(14)26-18(29)16-3-2-6-30-16/h4-5,7-8,10,16H,2-3,6,9,11H2,1H3,(H,24,26,29)/t16-/m0/s1
InChIKeyZQJKNGAUIYRKCN-INIZCTEOSA-N
MW435.41 g/mol
LogP3.24
Rot. Bonds6

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

(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide (PubChem CID 74538922) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide
PubChem CID74538922
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)[C@@H]4CCCO4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H20F3N5O3/c1-12-7-13(8-25-19(12)31-11-20(21,22)23)9-28-10-14-15(27-28)4-5-24-17(14)26-18(29)16-3-2-6-30-16/h4-5,7-8,10,16H,2-3,6,9,11H2,1H3,(H,24,26,29)/t16-/m0/s1
InChIKeyZQJKNGAUIYRKCN-INIZCTEOSA-N
XLogP3.24
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539473
N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90119234
N-[2-[(6-cyclobutyloxy-5-methyl-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90118852
N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 74539253
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-[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
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-[2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90118610
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-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539753
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 74539180

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (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) is (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide is Cc1cc(Cn2cc3c(NC(=O)[C@@H]4CCCO4)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide?
The InChIKey is ZQJKNGAUIYRKCN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-12-7-13(8-25-19(12)31-11-20(21,22)23)9-28-10-14-15(27-28)4-5-24-17(14)26-18(29)16-3-2-6-30-16/h4-5,7-8,10,16H,2-3,6,9,11H2,1H3,(H,24,26,29)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide?
(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 74538922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).