3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C27H29F3N10 — CID 139344446

IUPAC3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ncc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)[nH]1
InChIInChI=1S/C27H29F3N10/c1-26(2,3)25-33-12-19(36-25)15-38-8-9-39(16-21(38)17-10-34-35-11-17)23-6-7-31-24(37-23)20-13-32-22-5-4-18(14-40(20)22)27(28,29)30/h4-7,10-14,21H,8-9,15-16H2,1-3H3,(H,33,36)(H,34,35)
InChIKeyVJFQRMJVFHCBDH-UHFFFAOYSA-N
MW550.59 g/mol
LogP4.62
Rot. Bonds5

About 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344446) has the molecular formula C27H29F3N10 and a molecular weight of 550.59 g/mol. Its IUPAC name is 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344446
Molecular FormulaC27H29F3N10
Molecular Weight550.59 g/mol
Exact Mass550.25
IUPAC Name3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ncc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)[nH]1
InChIInChI=1S/C27H29F3N10/c1-26(2,3)25-33-12-19(36-25)15-38-8-9-39(16-21(38)17-10-34-35-11-17)23-6-7-31-24(37-23)20-13-32-22-5-4-18(14-40(20)22)27(28,29)30/h4-7,10-14,21H,8-9,15-16H2,1-3H3,(H,33,36)(H,34,35)
InChIKeyVJFQRMJVFHCBDH-UHFFFAOYSA-N
XLogP4.62
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.59
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344446) is 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)(C)c1ncc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)[nH]1.
What is the InChIKey of 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is VJFQRMJVFHCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N10/c1-26(2,3)25-33-12-19(36-25)15-38-8-9-39(16-21(38)17-10-34-35-11-17)23-6-7-31-24(37-23)20-13-32-22-5-4-18(14-40(20)22)27(28,29)30/h4-7,10-14,21H,8-9,15-16H2,1-3H3,(H,33,36)(H,34,35).
What are the key properties of 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 550.59 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).