3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C24H23F3N10 — CID 139344281

IUPAC3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1ncc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)[nH]1
InChIInChI=1S/C24H23F3N10/c1-15-29-10-18(33-15)13-35-6-7-36(14-20(35)16-8-31-32-9-16)22-4-5-28-23(34-22)19-11-30-21-3-2-17(12-37(19)21)24(25,26)27/h2-5,8-12,20H,6-7,13-14H2,1H3,(H,29,33)(H,31,32)
InChIKeyHYJAKTTUYDMFQD-UHFFFAOYSA-N
MW508.51 g/mol
LogP3.63
Rot. Bonds5

About 3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344281) has the molecular formula C24H23F3N10 and a molecular weight of 508.51 g/mol. Its IUPAC name is 3-[4-[4-[(2-methyl-1H-imidazol-5-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-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344281
Molecular FormulaC24H23F3N10
Molecular Weight508.51 g/mol
Exact Mass508.21
IUPAC Name3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1ncc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)[nH]1
InChIInChI=1S/C24H23F3N10/c1-15-29-10-18(33-15)13-35-6-7-36(14-20(35)16-8-31-32-9-16)22-4-5-28-23(34-22)19-11-30-21-3-2-17(12-37(19)21)24(25,26)27/h2-5,8-12,20H,6-7,13-14H2,1H3,(H,29,33)(H,31,32)
InChIKeyHYJAKTTUYDMFQD-UHFFFAOYSA-N
XLogP3.63
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(2-methyl-1H-imidazol-5-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-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344281) is 3-[4-[4-[(2-methyl-1H-imidazol-5-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-[(2-methyl-1H-imidazol-5-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-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1ncc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)[nH]1.
What is the InChIKey of 3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is HYJAKTTUYDMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N10/c1-15-29-10-18(33-15)13-35-6-7-36(14-20(35)16-8-31-32-9-16)22-4-5-28-23(34-22)19-11-30-21-3-2-17(12-37(19)21)24(25,26)27/h2-5,8-12,20H,6-7,13-14H2,1H3,(H,29,33)(H,31,32).
What are the key properties of 3-[4-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-[(2-methyl-1H-imidazol-5-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 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(2-methyl-1H-imidazol-5-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 139344281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).