1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C20H22F3N5O3 — CID 53066939

IUPAC1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C20H22F3N5O3/c1-26-16-6-7-28(19(30)24-15-5-3-2-4-14(15)20(21,22)23)12-13(16)17(25-26)18(29)27-8-10-31-11-9-27/h2-5H,6-12H2,1H3,(H,24,30)
InChIKeyVUHFFYGZQORLHB-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.50
Rot. Bonds2

About 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53066939) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53066939
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C20H22F3N5O3/c1-26-16-6-7-28(19(30)24-15-5-3-2-4-14(15)20(21,22)23)12-13(16)17(25-26)18(29)27-8-10-31-11-9-27/h2-5H,6-12H2,1H3,(H,24,30)
InChIKeyVUHFFYGZQORLHB-UHFFFAOYSA-N
XLogP2.50
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53066939) is 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2.
What is the InChIKey of 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is VUHFFYGZQORLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-26-16-6-7-28(19(30)24-15-5-3-2-4-14(15)20(21,22)23)12-13(16)17(25-26)18(29)27-8-10-31-11-9-27/h2-5H,6-12H2,1H3,(H,24,30).
What are the key properties of 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53066939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).