(1-propan-2-ylpyrazol-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

C26H25F3N10O — CID 139344541

IUPAC(1-propan-2-ylpyrazol-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
SMILESCC(C)n1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1
InChIInChI=1S/C26H25F3N10O/c1-16(2)39-13-18(11-34-39)25(40)37-8-7-36(15-21(37)17-9-32-33-10-17)23-5-6-30-24(35-23)20-12-31-22-4-3-19(14-38(20)22)26(27,28)29/h3-6,9-14,16,21H,7-8,15H2,1-2H3,(H,32,33)
InChIKeyYLHJJHADTKIVCZ-UHFFFAOYSA-N
MW550.55 g/mol
LogP4.01
Rot. Bonds5

About (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 139344541) has the molecular formula C26H25F3N10O and a molecular weight of 550.55 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 CID139344541
Molecular FormulaC26H25F3N10O
Molecular Weight550.55 g/mol
Exact Mass550.22
IUPAC Name(1-propan-2-ylpyrazol-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
SMILESCC(C)n1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1
InChIInChI=1S/C26H25F3N10O/c1-16(2)39-13-18(11-34-39)25(40)37-8-7-36(15-21(37)17-9-32-33-10-17)23-5-6-30-24(35-23)20-12-31-22-4-3-19(14-38(20)22)26(27,28)29/h3-6,9-14,16,21H,7-8,15H2,1-2H3,(H,32,33)
InChIKeyYLHJJHADTKIVCZ-UHFFFAOYSA-N
XLogP4.01
TPSA113.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 139344541) is (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 CC(C)n1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1.
What is the InChIKey of (1-propan-2-ylpyrazol-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 YLHJJHADTKIVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N10O/c1-16(2)39-13-18(11-34-39)25(40)37-8-7-36(15-21(37)17-9-32-33-10-17)23-5-6-30-24(35-23)20-12-31-22-4-3-19(14-38(20)22)26(27,28)29/h3-6,9-14,16,21H,7-8,15H2,1-2H3,(H,32,33).
What are the key properties of (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 550.55 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-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 139344541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).