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

C26H29F3N10O — CID 155922329

IUPAC(1-propan-2-ylpyrazol-4-yl)-[2-pyrazolidin-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)CC2C2CNNC2)cn1
InChIInChI=1S/C26H29F3N10O/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/h3-6,11-14,16-17,21,32-33H,7-10,15H2,1-2H3
InChIKeyORUGXPBGOPAOES-UHFFFAOYSA-N
MW554.58 g/mol
LogP2.64
Rot. Bonds5

About (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 155922329) has the molecular formula C26H29F3N10O and a molecular weight of 554.58 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 CID155922329
Molecular FormulaC26H29F3N10O
Molecular Weight554.58 g/mol
Exact Mass554.25
IUPAC Name(1-propan-2-ylpyrazol-4-yl)-[2-pyrazolidin-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)CC2C2CNNC2)cn1
InChIInChI=1S/C26H29F3N10O/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/h3-6,11-14,16-17,21,32-33H,7-10,15H2,1-2H3
InChIKeyORUGXPBGOPAOES-UHFFFAOYSA-N
XLogP2.64
TPSA108.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.58
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 155922329) is (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 CC(C)n1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)cn1.
What is the InChIKey of (1-propan-2-ylpyrazol-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 ORUGXPBGOPAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N10O/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/h3-6,11-14,16-17,21,32-33H,7-10,15H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 554.58 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-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 155922329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).