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

C22H26F3N7O — CID 118710465

IUPACN-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C22H26F3N7O/c1-16-14-19(29-21(27-16)22(23,24)25)31-12-10-30(11-13-31)8-5-3-7-26-20(33)17-15-32-9-4-2-6-18(32)28-17/h2,4,6,9,14-15H,3,5,7-8,10-13H2,1H3,(H,26,33)
InChIKeyBHMLBWLDIQFCIS-UHFFFAOYSA-N
MW461.49 g/mol
LogP2.78
Rot. Bonds7

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

N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118710465) has the molecular formula C22H26F3N7O and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118710465
Molecular FormulaC22H26F3N7O
Molecular Weight461.49 g/mol
Exact Mass461.22
IUPAC NameN-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C22H26F3N7O/c1-16-14-19(29-21(27-16)22(23,24)25)31-12-10-30(11-13-31)8-5-3-7-26-20(33)17-15-32-9-4-2-6-18(32)28-17/h2,4,6,9,14-15H,3,5,7-8,10-13H2,1H3,(H,26,33)
InChIKeyBHMLBWLDIQFCIS-UHFFFAOYSA-N
XLogP2.78
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 52.78
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-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 118710465) is N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BHMLBWLDIQFCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O/c1-16-14-19(29-21(27-16)22(23,24)25)31-12-10-30(11-13-31)8-5-3-7-26-20(33)17-15-32-9-4-2-6-18(32)28-17/h2,4,6,9,14-15H,3,5,7-8,10-13H2,1H3,(H,26,33).
What are the key properties of N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118710465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).