3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C25H23F3N10O — CID 139344832

IUPAC3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ccnc1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C25H23F3N10O/c26-25(27,28)18-1-2-21-31-13-19(38(21)14-18)24-30-5-3-22(34-24)36-9-10-37(20(15-36)17-11-32-33-12-17)23(39)4-7-35-8-6-29-16-35/h1-3,5-6,8,11-14,16,20H,4,7,9-10,15H2,(H,32,33)
InChIKeyCFVIVIUNIFOYPU-UHFFFAOYSA-N
MW536.52 g/mol
LogP3.21
Rot. Bonds6

About 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 139344832) has the molecular formula C25H23F3N10O and a molecular weight of 536.52 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID139344832
Molecular FormulaC25H23F3N10O
Molecular Weight536.52 g/mol
Exact Mass536.20
IUPAC Name3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ccnc1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C25H23F3N10O/c26-25(27,28)18-1-2-21-31-13-19(38(21)14-18)24-30-5-3-22(34-24)36-9-10-37(20(15-36)17-11-32-33-12-17)23(39)4-7-35-8-6-29-16-35/h1-3,5-6,8,11-14,16,20H,4,7,9-10,15H2,(H,32,33)
InChIKeyCFVIVIUNIFOYPU-UHFFFAOYSA-N
XLogP3.21
TPSA113.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 139344832) is 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is O=C(CCn1ccnc1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is CFVIVIUNIFOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N10O/c26-25(27,28)18-1-2-21-31-13-19(38(21)14-18)24-30-5-3-22(34-24)36-9-10-37(20(15-36)17-11-32-33-12-17)23(39)4-7-35-8-6-29-16-35/h1-3,5-6,8,11-14,16,20H,4,7,9-10,15H2,(H,32,33).
What are the key properties of 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 536.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139344832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).