[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

C27H22FN7O — CID 58824486

IUPAC[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H22FN7O/c1-16(26-31-20-4-2-3-5-21(20)32-26)30-27-29-12-10-22(33-27)25-24(18-6-8-19(28)9-7-18)34-23-14-17(15-36)11-13-35(23)25/h2-14,16,36H,15H2,1H3,(H,31,32)(H,29,30,33)
InChIKeyZAPAMVMNERJUEM-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.14
Rot. Bonds6

About [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824486) has the molecular formula C27H22FN7O and a molecular weight of 479.52 g/mol. Its IUPAC name is [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824486
Molecular FormulaC27H22FN7O
Molecular Weight479.52 g/mol
Exact Mass479.19
IUPAC Name[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H22FN7O/c1-16(26-31-20-4-2-3-5-21(20)32-26)30-27-29-12-10-22(33-27)25-24(18-6-8-19(28)9-7-18)34-23-14-17(15-36)11-13-35(23)25/h2-14,16,36H,15H2,1H3,(H,31,32)(H,29,30,33)
InChIKeyZAPAMVMNERJUEM-UHFFFAOYSA-N
XLogP5.14
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824486) is [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1nc2ccccc2[nH]1.
What is the InChIKey of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is ZAPAMVMNERJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O/c1-16(26-31-20-4-2-3-5-21(20)32-26)30-27-29-12-10-22(33-27)25-24(18-6-8-19(28)9-7-18)34-23-14-17(15-36)11-13-35(23)25/h2-14,16,36H,15H2,1H3,(H,31,32)(H,29,30,33).
What are the key properties of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 479.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).