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3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C24H29F3N8O — CID 155922318

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1NNCC1[C@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1
InChIInChI=1S/C24H29F3N8O/c1-14-18(9-30-32-14)22-15(2)33(7-8-34(22)17-12-36-13-17)21-5-6-28-23(31-21)19-10-29-20-4-3-16(11-35(19)20)24(25,26)27/h3-6,10-11,14-15,17-18,22,30,32H,7-9,12-13H2,1-2H3/t14?,15-,18?,22+/m0/s1
InChIKeyCRBFZMGCASZUGL-PDFUNQJNSA-N
MW502.55 g/mol
LogP2.20
Rot. Bonds4

About 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 155922318) has the molecular formula C24H29F3N8O and a molecular weight of 502.55 g/mol. Its IUPAC name is 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID155922318
Molecular FormulaC24H29F3N8O
Molecular Weight502.55 g/mol
Exact Mass502.24
IUPAC Name3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1NNCC1[C@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1
InChIInChI=1S/C24H29F3N8O/c1-14-18(9-30-32-14)22-15(2)33(7-8-34(22)17-12-36-13-17)21-5-6-28-23(31-21)19-10-29-20-4-3-16(11-35(19)20)24(25,26)27/h3-6,10-11,14-15,17-18,22,30,32H,7-9,12-13H2,1-2H3/t14?,15-,18?,22+/m0/s1
InChIKeyCRBFZMGCASZUGL-PDFUNQJNSA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 155922318) is 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1NNCC1[C@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1.
What is the InChIKey of 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is CRBFZMGCASZUGL-PDFUNQJNSA-N. The full InChI is InChI=1S/C24H29F3N8O/c1-14-18(9-30-32-14)22-15(2)33(7-8-34(22)17-12-36-13-17)21-5-6-28-23(31-21)19-10-29-20-4-3-16(11-35(19)20)24(25,26)27/h3-6,10-11,14-15,17-18,22,30,32H,7-9,12-13H2,1-2H3/t14?,15-,18?,22+/m0/s1.
What are the key properties of 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 502.55 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155922318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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