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

C40H35F6N11O4 — CID 90118869

IUPACN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Cn2cc3c(N4CCCC4=O)nccc3n2)cnc1OCC(F)(F)F.Cc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C21H17F3N6O2.C19H18F3N5O2/c1-13-7-14(8-27-20(13)32-12-21(22,23)24)10-30-11-16-17(29-30)4-6-26-18(16)28-19(31)15-3-2-5-25-9-15;1-12-7-13(8-24-18(12)29-11-19(20,21)22)9-26-10-14-15(25-26)4-5-23-17(14)27-6-2-3-16(27)28/h2-9,11H,10,12H2,1H3,(H,26,28,31);4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKeyNLHZDIZKDWSNKF-UHFFFAOYSA-N
MW847.78 g/mol
LogP7.02
Rot. Bonds11

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

N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one (PubChem CID 90118869) has the molecular formula C40H35F6N11O4 and a molecular weight of 847.78 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]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
PubChem CID90118869
Molecular FormulaC40H35F6N11O4
Molecular Weight847.78 g/mol
Exact Mass847.28
IUPAC NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Cn2cc3c(N4CCCC4=O)nccc3n2)cnc1OCC(F)(F)F.Cc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C21H17F3N6O2.C19H18F3N5O2/c1-13-7-14(8-27-20(13)32-12-21(22,23)24)10-30-11-16-17(29-30)4-6-26-18(16)28-19(31)15-3-2-5-25-9-15;1-12-7-13(8-24-18(12)29-11-19(20,21)22)9-26-10-14-15(25-26)4-5-23-17(14)27-6-2-3-16(27)28/h2-9,11H,10,12H2,1H3,(H,26,28,31);4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKeyNLHZDIZKDWSNKF-UHFFFAOYSA-N
XLogP7.02
TPSA167.96 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.78
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one with MolForge

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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]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
The IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one (CID 90118869) is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one.
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]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
The canonical SMILES for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one is Cc1cc(Cn2cc3c(N4CCCC4=O)nccc3n2)cnc1OCC(F)(F)F.Cc1cc(Cn2cc3c(NC(=O)c4cccnc4)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]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
The InChIKey is NLHZDIZKDWSNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2.C19H18F3N5O2/c1-13-7-14(8-27-20(13)32-12-21(22,23)24)10-30-11-16-17(29-30)4-6-26-18(16)28-19(31)15-3-2-5-25-9-15;1-12-7-13(8-24-18(12)29-11-19(20,21)22)9-26-10-14-15(25-26)4-5-23-17(14)27-6-2-3-16(27)28/h2-9,11H,10,12H2,1H3,(H,26,28,31);4-5,7-8,10H,2-3,6,9,11H2,1H3.
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]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one has a molecular weight of 847.78 g/mol, XLogP of 7.02, 11 rotatable bonds, 1 hydrogen bond donors, and 13 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]pyridine-3-carboxamide;1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).