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

C23H19F3N10O — CID 139344799

IUPAC1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C23H19F3N10O/c24-23(25,26)15-1-2-19-29-10-17(36(19)11-15)21-28-4-3-20(33-21)34-5-6-35(22(37)16-9-27-13-30-16)18(12-34)14-7-31-32-8-14/h1-4,7-11,13,18H,5-6,12H2,(H,27,30)(H,31,32)
InChIKeyZXOSKTQDXCSSIW-UHFFFAOYSA-N
MW508.47 g/mol
LogP2.96
Rot. Bonds4

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

1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 139344799) has the molecular formula C23H19F3N10O and a molecular weight of 508.47 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID139344799
Molecular FormulaC23H19F3N10O
Molecular Weight508.47 g/mol
Exact Mass508.17
IUPAC Name1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C23H19F3N10O/c24-23(25,26)15-1-2-19-29-10-17(36(19)11-15)21-28-4-3-20(33-21)34-5-6-35(22(37)16-9-27-13-30-16)18(12-34)14-7-31-32-8-14/h1-4,7-11,13,18H,5-6,12H2,(H,27,30)(H,31,32)
InChIKeyZXOSKTQDXCSSIW-UHFFFAOYSA-N
XLogP2.96
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344799) is 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1cnc[nH]1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is ZXOSKTQDXCSSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N10O/c24-23(25,26)15-1-2-19-29-10-17(36(19)11-15)21-28-4-3-20(33-21)34-5-6-35(22(37)16-9-27-13-30-16)18(12-34)14-7-31-32-8-14/h1-4,7-11,13,18H,5-6,12H2,(H,27,30)(H,31,32).
What are the key properties of 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 508.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 139344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).