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

C24H23F3N10 — CID 139344509

IUPAC3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCn1cc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1
InChIInChI=1S/C24H23F3N10/c1-34-12-16(8-32-34)13-35-6-7-36(15-20(35)17-9-30-31-10-17)22-4-5-28-23(33-22)19-11-29-21-3-2-18(14-37(19)21)24(25,26)27/h2-5,8-12,14,20H,6-7,13,15H2,1H3,(H,30,31)
InChIKeyVMUWYCCTGOVBSZ-UHFFFAOYSA-N
MW508.51 g/mol
LogP3.33
Rot. Bonds5

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

3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344509) has the molecular formula C24H23F3N10 and a molecular weight of 508.51 g/mol. Its IUPAC name is 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344509
Molecular FormulaC24H23F3N10
Molecular Weight508.51 g/mol
Exact Mass508.21
IUPAC Name3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCn1cc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1
InChIInChI=1S/C24H23F3N10/c1-34-12-16(8-32-34)13-35-6-7-36(15-20(35)17-9-30-31-10-17)22-4-5-28-23(33-22)19-11-29-21-3-2-18(14-37(19)21)24(25,26)27/h2-5,8-12,14,20H,6-7,13,15H2,1H3,(H,30,31)
InChIKeyVMUWYCCTGOVBSZ-UHFFFAOYSA-N
XLogP3.33
TPSA96.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344509) is 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cn1cc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1.
What is the InChIKey of 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is VMUWYCCTGOVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N10/c1-34-12-16(8-32-34)13-35-6-7-36(15-20(35)17-9-30-31-10-17)22-4-5-28-23(33-22)19-11-29-21-3-2-18(14-37(19)21)24(25,26)27/h2-5,8-12,14,20H,6-7,13,15H2,1H3,(H,30,31).
What are the key properties of 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 508.51 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).