6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C22H16F3N7O2 — CID 118198889

IUPAC6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3cn[nH]c3C2)c(-c2cncnc2)c1
InChIInChI=1S/C22H16F3N7O2/c23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32/h1-9,12H,10-11H2,(H,29,31)(H,30,33)
InChIKeyPGNUJNXXHJGVQF-UHFFFAOYSA-N
MW467.41 g/mol
LogP3.93
Rot. Bonds5

About 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118198889) has the molecular formula C22H16F3N7O2 and a molecular weight of 467.41 g/mol. Its IUPAC name is 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118198889
Molecular FormulaC22H16F3N7O2
Molecular Weight467.41 g/mol
Exact Mass467.13
IUPAC Name6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3cn[nH]c3C2)c(-c2cncnc2)c1
InChIInChI=1S/C22H16F3N7O2/c23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32/h1-9,12H,10-11H2,(H,29,31)(H,30,33)
InChIKeyPGNUJNXXHJGVQF-UHFFFAOYSA-N
XLogP3.93
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide 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

Asciminib
CID 72165228
Asciminib Hydrochloride
CID 133082086
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497481
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-5-(4-fluoro-1H-pyrazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)nicotinamide
CID 72545600
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
5-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72203284
(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72544445
Methyl 1-(5-((4-(chlorodifluoromethoxy)phenyl)carbamoyl)-3-(1H-pyrazol-5-yl)pyridin-2-yl)pyrrolidine-3-carboxylate
CID 72545853
N-(4-(Chlorodifluoromethoxy)phenyl)-6-((3,4-dihydroxybutyl)amino)-5-(1H-pyrazol-5-yl)nicotinamide
CID 89907837
(R)-6-(3-Hydroxy-3-methylpyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89908440
6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198923

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118198889) is 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3cn[nH]c3C2)c(-c2cncnc2)c1.
What is the InChIKey of 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is PGNUJNXXHJGVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N7O2/c23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32/h1-9,12H,10-11H2,(H,29,31)(H,30,33).
What are the key properties of 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 467.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118198889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).