4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine

C26H25FN6 — CID 89372698

IUPAC4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine
SMILESC#CCN(C)Cc1ccn2c(-c3ccnc(NCC(=C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H25FN6/c1-5-13-32(4)17-19-11-14-33-23(15-19)31-24(20-6-8-21(27)9-7-20)25(33)22-10-12-28-26(30-22)29-16-18(2)3/h1,6-12,14-15H,2,13,16-17H2,3-4H3,(H,28,29,30)
InChIKeyNHWLCHJYPNVFHS-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.65
Rot. Bonds8

About 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine (PubChem CID 89372698) has the molecular formula C26H25FN6 and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine
PubChem CID89372698
Molecular FormulaC26H25FN6
Molecular Weight440.53 g/mol
Exact Mass440.21
IUPAC Name4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine
SMILESC#CCN(C)Cc1ccn2c(-c3ccnc(NCC(=C)C)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H25FN6/c1-5-13-32(4)17-19-11-14-33-23(15-19)31-24(20-6-8-21(27)9-7-20)25(33)22-10-12-28-26(30-22)29-16-18(2)3/h1,6-12,14-15H,2,13,16-17H2,3-4H3,(H,28,29,30)
InChIKeyNHWLCHJYPNVFHS-UHFFFAOYSA-N
XLogP4.65
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine (CID 89372698) is 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine is C#CCN(C)Cc1ccn2c(-c3ccnc(NCC(=C)C)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine?
The InChIKey is NHWLCHJYPNVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6/c1-5-13-32(4)17-19-11-14-33-23(15-19)31-24(20-6-8-21(27)9-7-20)25(33)22-10-12-28-26(30-22)29-16-18(2)3/h1,6-12,14-15H,2,13,16-17H2,3-4H3,(H,28,29,30).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine has a molecular weight of 440.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-[[methyl(prop-2-ynyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-methylprop-2-enyl)pyrimidin-2-amine is sourced from PubChem (CID 89372698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).