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

C25H23F3N10O2 — CID 139344343

IUPAC[1-(2-hydroxyethyl)pyrazol-4-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(c1cnn(CCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C25H23F3N10O2/c26-25(27,28)18-1-2-21-30-12-19(38(21)14-18)23-29-4-3-22(34-23)35-5-6-37(20(15-35)16-9-31-32-10-16)24(40)17-11-33-36(13-17)7-8-39/h1-4,9-14,20,39H,5-8,15H2,(H,31,32)
InChIKeySHMIXSVRXNBHQA-UHFFFAOYSA-N
MW552.52 g/mol
LogP2.43
Rot. Bonds6

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

[1-(2-hydroxyethyl)pyrazol-4-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 139344343) has the molecular formula C25H23F3N10O2 and a molecular weight of 552.52 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)pyrazol-4-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 Name[1-(2-hydroxyethyl)pyrazol-4-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 CID139344343
Molecular FormulaC25H23F3N10O2
Molecular Weight552.52 g/mol
Exact Mass552.20
IUPAC Name[1-(2-hydroxyethyl)pyrazol-4-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(c1cnn(CCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C25H23F3N10O2/c26-25(27,28)18-1-2-21-30-12-19(38(21)14-18)23-29-4-3-22(34-23)35-5-6-37(20(15-35)16-9-31-32-10-16)24(40)17-11-33-36(13-17)7-8-39/h1-4,9-14,20,39H,5-8,15H2,(H,31,32)
InChIKeySHMIXSVRXNBHQA-UHFFFAOYSA-N
XLogP2.43
TPSA133.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)pyrazol-4-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 [1-(2-hydroxyethyl)pyrazol-4-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 139344343) is [1-(2-hydroxyethyl)pyrazol-4-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 [1-(2-hydroxyethyl)pyrazol-4-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 [1-(2-hydroxyethyl)pyrazol-4-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(c1cnn(CCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of [1-(2-hydroxyethyl)pyrazol-4-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 SHMIXSVRXNBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N10O2/c26-25(27,28)18-1-2-21-30-12-19(38(21)14-18)23-29-4-3-22(34-23)35-5-6-37(20(15-35)16-9-31-32-10-16)24(40)17-11-33-36(13-17)7-8-39/h1-4,9-14,20,39H,5-8,15H2,(H,31,32).
What are the key properties of [1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
[1-(2-hydroxyethyl)pyrazol-4-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 552.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)pyrazol-4-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 139344343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).