3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C53H41F3N10O — CID 158614642

IUPAC3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCc1cnn2ccc(-c3ccccc3)cc12.Cc1cnn2ccc(-c3ccccc3)nc12.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1.c1ccc(-c2ccn3nccc3c2)cc1
InChIInChI=1S/C14H12N2.C13H8F3N3O.C13H11N3.C13H10N2/c1-11-10-15-16-8-7-13(9-14(11)16)12-5-3-2-4-6-12;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10;1-10-9-14-16-8-7-12(15-13(10)16)11-5-3-2-4-6-11;1-2-4-11(5-3-1)12-7-9-15-13(10-12)6-8-14-15/h2-10H,1H3;1-8H;2-9H,1H3;1-10H
InChIKeyHXFXZSSRGKOTPZ-UHFFFAOYSA-N
MW890.97 g/mol
LogP12.31
Rot. Bonds5

About 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 158614642) has the molecular formula C53H41F3N10O and a molecular weight of 890.97 g/mol. Its IUPAC name is 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID158614642
Molecular FormulaC53H41F3N10O
Molecular Weight890.97 g/mol
Exact Mass890.34
IUPAC Name3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCc1cnn2ccc(-c3ccccc3)cc12.Cc1cnn2ccc(-c3ccccc3)nc12.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1.c1ccc(-c2ccn3nccc3c2)cc1
InChIInChI=1S/C14H12N2.C13H8F3N3O.C13H11N3.C13H10N2/c1-11-10-15-16-8-7-13(9-14(11)16)12-5-3-2-4-6-12;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10;1-10-9-14-16-8-7-12(15-13(10)16)11-5-3-2-4-6-11;1-2-4-11(5-3-1)12-7-9-15-13(10-12)6-8-14-15/h2-10H,1H3;1-8H;2-9H,1H3;1-10H
InChIKeyHXFXZSSRGKOTPZ-UHFFFAOYSA-N
XLogP12.31
TPSA104.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500890.97
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

3-(3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879518
3-(4-fluoro-3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879519
1-[2-[4-[5-(Dimethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]pyrimidin-5-yl]-3-[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 77461005
1-[2-[4-[5-(Dimethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]pyrimidin-5-yl]-3-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]urea
CID 78322880
1-[2-[4-[5-(Azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]pyrimidin-5-yl]-3-[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 118596505
1-[2-[4-(5-Methylpyrazolo[1,5-a]pyrimidin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]urea
CID 118596826
5-(4-Methoxyphenyl)-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 162656796
5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 164624877
5-[5-[4-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 68181986
(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(2-morpholinoethoxy)phenyl)pyrimidin-2-yl)morpholine
CID 73504500
(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrimidin-2-yl)morpholine
CID 73504501
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032846

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 158614642) is 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is Cc1cnn2ccc(-c3ccccc3)cc12.Cc1cnn2ccc(-c3ccccc3)nc12.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1.c1ccc(-c2ccn3nccc3c2)cc1.
What is the InChIKey of 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is HXFXZSSRGKOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C13H8F3N3O.C13H11N3.C13H10N2/c1-11-10-15-16-8-7-13(9-14(11)16)12-5-3-2-4-6-12;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10;1-10-9-14-16-8-7-12(15-13(10)16)11-5-3-2-4-6-11;1-2-4-11(5-3-1)12-7-9-15-13(10-12)6-8-14-15/h2-10H,1H3;1-8H;2-9H,1H3;1-10H.
What are the key properties of 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 890.97 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylpyrazolo[1,5-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;5-phenylpyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 158614642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).