6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C20H16FN5O2 — CID 122510414

IUPAC6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C[C@H](O)CO)cn12
InChIInChI=1S/C20H16FN5O2/c21-15-4-1-13(2-5-15)19-20(25(12-24-19)10-17(28)11-27)14-3-6-18-23-8-16(7-22)26(18)9-14/h1-6,8-9,12,17,27-28H,10-11H2/t17-/m0/s1
InChIKeyKTBVMIBZFUFNME-KRWDZBQOSA-N
MW377.38 g/mol
LogP2.23
Rot. Bonds5

About 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510414) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510414
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C[C@H](O)CO)cn12
InChIInChI=1S/C20H16FN5O2/c21-15-4-1-13(2-5-15)19-20(25(12-24-19)10-17(28)11-27)14-3-6-18-23-8-16(7-22)26(18)9-14/h1-6,8-9,12,17,27-28H,10-11H2/t17-/m0/s1
InChIKeyKTBVMIBZFUFNME-KRWDZBQOSA-N
XLogP2.23
TPSA99.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510414) is 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C[C@H](O)CO)cn12.
What is the InChIKey of 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is KTBVMIBZFUFNME-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-15-4-1-13(2-5-15)19-20(25(12-24-19)10-17(28)11-27)14-3-6-18-23-8-16(7-22)26(18)9-14/h1-6,8-9,12,17,27-28H,10-11H2/t17-/m0/s1.
What are the key properties of 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 377.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2S)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122510414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).