N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C19H17F3N4O — CID 134803647

IUPACN-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCC3CC3)cc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C19H17F3N4O/c1-26-17-15(10-24-26)14(18(27)23-9-11-2-3-11)8-16(25-17)12-4-6-13(7-5-12)19(20,21)22/h4-8,10-11H,2-3,9H2,1H3,(H,23,27)
InChIKeyAUEFDGHPKGUSGH-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.79
Rot. Bonds4

About N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803647) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803647
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCC3CC3)cc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C19H17F3N4O/c1-26-17-15(10-24-26)14(18(27)23-9-11-2-3-11)8-16(25-17)12-4-6-13(7-5-12)19(20,21)22/h4-8,10-11H,2-3,9H2,1H3,(H,23,27)
InChIKeyAUEFDGHPKGUSGH-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134803647) is N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCC3CC3)cc(-c3ccc(C(F)(F)F)cc3)nc21.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AUEFDGHPKGUSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-26-17-15(10-24-26)14(18(27)23-9-11-2-3-11)8-16(25-17)12-4-6-13(7-5-12)19(20,21)22/h4-8,10-11H,2-3,9H2,1H3,(H,23,27).
What are the key properties of N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).