(1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine

C20H18FN5 — CID 97224962

IUPAC(1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCN(Cc1cnc2ccccn12)[C@H](c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C20H18FN5/c1-25(14-17-13-24-18-5-2-3-12-26(17)18)19(20-22-10-4-11-23-20)15-6-8-16(21)9-7-15/h2-13,19H,14H2,1H3/t19-/m1/s1
InChIKeyYDOAUFYFVPQLHE-LJQANCHMSA-N
MW347.40 g/mol
LogP3.48
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine

(1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 97224962) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID97224962
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name(1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCN(Cc1cnc2ccccn12)[C@H](c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C20H18FN5/c1-25(14-17-13-24-18-5-2-3-12-26(17)18)19(20-22-10-4-11-23-20)15-6-8-16(21)9-7-15/h2-13,19H,14H2,1H3/t19-/m1/s1
InChIKeyYDOAUFYFVPQLHE-LJQANCHMSA-N
XLogP3.48
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 97224962) is (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine is CN(Cc1cnc2ccccn12)[C@H](c1ccc(F)cc1)c1ncccn1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is YDOAUFYFVPQLHE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18FN5/c1-25(14-17-13-24-18-5-2-3-12-26(17)18)19(20-22-10-4-11-23-20)15-6-8-16(21)9-7-15/h2-13,19H,14H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
(1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 347.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 97224962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).