N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide

C25H32F3N7O — CID 66574145

IUPACN-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
InChIKeyMGDSRFOVDPARJD-UHFFFAOYSA-N
MW503.57 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 66574145) has the molecular formula C25H32F3N7O and a molecular weight of 503.57 g/mol. Its IUPAC name is N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID66574145
Molecular FormulaC25H32F3N7O
Molecular Weight503.57 g/mol
Exact Mass503.26
IUPAC NameN-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
InChIKeyMGDSRFOVDPARJD-UHFFFAOYSA-N
XLogP3.77
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 66574145) is N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MGDSRFOVDPARJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36).
What are the key properties of N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 503.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 66574145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).