6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one

C25H24F3N9O2 — CID 139344423

IUPAC6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CCCC(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)N1
InChIInChI=1S/C25H24F3N9O2/c26-25(27,28)16-4-5-20-30-12-18(37(20)13-16)23-29-7-6-21(34-23)35-8-9-36(19(14-35)15-10-31-32-11-15)24(39)17-2-1-3-22(38)33-17/h4-7,10-13,17,19H,1-3,8-9,14H2,(H,31,32)(H,33,38)
InChIKeyXPXQTUCZGJJDKE-UHFFFAOYSA-N
MW539.52 g/mol
LogP2.59
Rot. Bonds4

About 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one

6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 139344423) has the molecular formula C25H24F3N9O2 and a molecular weight of 539.52 g/mol. Its IUPAC name is 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one
PubChem CID139344423
Molecular FormulaC25H24F3N9O2
Molecular Weight539.52 g/mol
Exact Mass539.20
IUPAC Name6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CCCC(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)N1
InChIInChI=1S/C25H24F3N9O2/c26-25(27,28)16-4-5-20-30-12-18(37(20)13-16)23-29-7-6-21(34-23)35-8-9-36(19(14-35)15-10-31-32-11-15)24(39)17-2-1-3-22(38)33-17/h4-7,10-13,17,19H,1-3,8-9,14H2,(H,31,32)(H,33,38)
InChIKeyXPXQTUCZGJJDKE-UHFFFAOYSA-N
XLogP2.59
TPSA124.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one (CID 139344423) is 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one is O=C1CCCC(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)N1.
What is the InChIKey of 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is XPXQTUCZGJJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N9O2/c26-25(27,28)16-4-5-20-30-12-18(37(20)13-16)23-29-7-6-21(34-23)35-8-9-36(19(14-35)15-10-31-32-11-15)24(39)17-2-1-3-22(38)33-17/h4-7,10-13,17,19H,1-3,8-9,14H2,(H,31,32)(H,33,38).
What are the key properties of 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one?
6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 539.52 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 139344423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).