5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C21H23FN6O3 — CID 156769658

IUPAC5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2ccc(F)c(C#N)c2)CC3)CC1
InChIInChI=1S/C21H23FN6O3/c1-27(21(6-7-21)12-31-2)19(29)18-15-11-28(8-5-17(15)25-26-18)20(30)24-14-3-4-16(22)13(9-14)10-23/h3-4,9H,5-8,11-12H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyKLDYJBFHDVXHAX-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.26
Rot. Bonds5

About 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 156769658) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID156769658
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2ccc(F)c(C#N)c2)CC3)CC1
InChIInChI=1S/C21H23FN6O3/c1-27(21(6-7-21)12-31-2)19(29)18-15-11-28(8-5-17(15)25-26-18)20(30)24-14-3-4-16(22)13(9-14)10-23/h3-4,9H,5-8,11-12H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyKLDYJBFHDVXHAX-UHFFFAOYSA-N
XLogP2.26
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5,6-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576831
5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 154697771
N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576637
N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576973
5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576627
tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 155255634
N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride
CID 154697746
3-N-(azetidin-3-yloxy)-5-N-(3-chlorophenyl)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437163
CID 155731852
CID 155731852
N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 166657626
N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576702
N-(3-cyano-4-fluorophenyl)-14,14-difluoro-11-[[(2,2,2-trifluoroacetyl)amino]methyl]-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 155341390

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 156769658) is 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is COCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2ccc(F)c(C#N)c2)CC3)CC1.
What is the InChIKey of 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is KLDYJBFHDVXHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-27(21(6-7-21)12-31-2)19(29)18-15-11-28(8-5-17(15)25-26-18)20(30)24-14-3-4-16(22)13(9-14)10-23/h3-4,9H,5-8,11-12H2,1-2H3,(H,24,30)(H,25,26).
What are the key properties of 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 426.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-cyano-4-fluorophenyl)-3-N-[1-(methoxymethyl)cyclopropyl]-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 156769658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).