(1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C24H25F3N10O — CID 155922334

IUPAC(1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)cn1
InChIInChI=1S/C24H25F3N10O/c1-34-12-16(10-32-34)23(38)36-7-6-35(14-19(36)15-8-30-31-9-15)21-4-5-28-22(33-21)18-11-29-20-3-2-17(13-37(18)20)24(25,26)27/h2-5,10-13,15,19,30-31H,6-9,14H2,1H3
InChIKeyOLWNHQUTNLIJLD-UHFFFAOYSA-N
MW526.53 g/mol
LogP1.60
Rot. Bonds4

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

(1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922334) has the molecular formula C24H25F3N10O and a molecular weight of 526.53 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[2-pyrazolidin-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-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID155922334
Molecular FormulaC24H25F3N10O
Molecular Weight526.53 g/mol
Exact Mass526.22
IUPAC Name(1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)cn1
InChIInChI=1S/C24H25F3N10O/c1-34-12-16(10-32-34)23(38)36-7-6-35(14-19(36)15-8-30-31-9-15)21-4-5-28-22(33-21)18-11-29-20-3-2-17(13-37(18)20)24(25,26)27/h2-5,10-13,15,19,30-31H,6-9,14H2,1H3
InChIKeyOLWNHQUTNLIJLD-UHFFFAOYSA-N
XLogP1.60
TPSA108.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.53
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[2-pyrazolidin-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-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922334) is (1-methylpyrazol-4-yl)-[2-pyrazolidin-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-methylpyrazol-4-yl)-[2-pyrazolidin-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-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is Cn1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is OLWNHQUTNLIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N10O/c1-34-12-16(10-32-34)23(38)36-7-6-35(14-19(36)15-8-30-31-9-15)21-4-5-28-22(33-21)18-11-29-20-3-2-17(13-37(18)20)24(25,26)27/h2-5,10-13,15,19,30-31H,6-9,14H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[2-pyrazolidin-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 526.53 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[2-pyrazolidin-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 155922334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).