3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C21H20F3N7 — CID 139344386

IUPAC3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCC1n1cccn1
InChIInChI=1S/C21H20F3N7/c1-14-12-29(10-6-16(14)31-9-2-7-27-31)19-5-8-25-20(28-19)17-11-26-18-4-3-15(13-30(17)18)21(22,23)24/h2-5,7-9,11,13-14,16H,6,10,12H2,1H3
InChIKeyQRQDKCUJDSBNFH-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.09
Rot. Bonds3

About 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344386) has the molecular formula C21H20F3N7 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344386
Molecular FormulaC21H20F3N7
Molecular Weight427.43 g/mol
Exact Mass427.17
IUPAC Name3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCC1n1cccn1
InChIInChI=1S/C21H20F3N7/c1-14-12-29(10-6-16(14)31-9-2-7-27-31)19-5-8-25-20(28-19)17-11-26-18-4-3-15(13-30(17)18)21(22,23)24/h2-5,7-9,11,13-14,16H,6,10,12H2,1H3
InChIKeyQRQDKCUJDSBNFH-UHFFFAOYSA-N
XLogP4.09
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(3S)-4-cyclopropyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane;S-methylthiohydroxylamine
CID 153331595
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159289603
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-(1-methylcyclopropyl)methanone
CID 139344503
6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344720
(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922363
[(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922348
(1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922340
(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 139344679
(2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922342
(2S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344880

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344386) is 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCC1n1cccn1.
What is the InChIKey of 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is QRQDKCUJDSBNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7/c1-14-12-29(10-6-16(14)31-9-2-7-27-31)19-5-8-25-20(28-19)17-11-26-18-4-3-15(13-30(17)18)21(22,23)24/h2-5,7-9,11,13-14,16H,6,10,12H2,1H3.
What are the key properties of 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 427.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).