[1-(2-methoxyethyl)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

C26H25F3N10O2 — CID 139344851

IUPAC[1-(2-methoxyethyl)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
SMILESCOCCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1
InChIInChI=1S/C26H25F3N10O2/c1-41-9-8-37-14-18(12-34-37)25(40)38-7-6-36(16-21(38)17-10-32-33-11-17)23-4-5-30-24(35-23)20-13-31-22-3-2-19(15-39(20)22)26(27,28)29/h2-5,10-15,21H,6-9,16H2,1H3,(H,32,33)
InChIKeyOOZSRTCBKOLQEW-UHFFFAOYSA-N
MW566.55 g/mol
LogP3.08
Rot. Bonds7

About [1-(2-methoxyethyl)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-methoxyethyl)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 139344851) has the molecular formula C26H25F3N10O2 and a molecular weight of 566.55 g/mol. Its IUPAC name is [1-(2-methoxyethyl)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-methoxyethyl)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 CID139344851
Molecular FormulaC26H25F3N10O2
Molecular Weight566.55 g/mol
Exact Mass566.21
IUPAC Name[1-(2-methoxyethyl)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
SMILESCOCCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1
InChIInChI=1S/C26H25F3N10O2/c1-41-9-8-37-14-18(12-34-37)25(40)38-7-6-36(16-21(38)17-10-32-33-11-17)23-4-5-30-24(35-23)20-13-31-22-3-2-19(15-39(20)22)26(27,28)29/h2-5,10-15,21H,6-9,16H2,1H3,(H,32,33)
InChIKeyOOZSRTCBKOLQEW-UHFFFAOYSA-N
XLogP3.08
TPSA122.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)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-methoxyethyl)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 139344851) is [1-(2-methoxyethyl)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-methoxyethyl)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-methoxyethyl)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 COCCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1.
What is the InChIKey of [1-(2-methoxyethyl)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 OOZSRTCBKOLQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N10O2/c1-41-9-8-37-14-18(12-34-37)25(40)38-7-6-36(16-21(38)17-10-32-33-11-17)23-4-5-30-24(35-23)20-13-31-22-3-2-19(15-39(20)22)26(27,28)29/h2-5,10-15,21H,6-9,16H2,1H3,(H,32,33).
What are the key properties of [1-(2-methoxyethyl)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-methoxyethyl)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 566.55 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)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 139344851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).