[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

C20H18FN5O — CID 142199373

IUPAC[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCc1ccc(-c2nc3cc(CO)ccn3c2-c2ccnc(N)n2)c(F)c1
InChIInChI=1S/C20H18FN5O/c1-2-12-3-4-14(15(21)9-12)18-19(16-5-7-23-20(22)24-16)26-8-6-13(11-27)10-17(26)25-18/h3-10,27H,2,11H2,1H3,(H2,22,23,24)
InChIKeyPNDXZMJMTPGACR-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.23
Rot. Bonds4

About [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 142199373) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID142199373
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCc1ccc(-c2nc3cc(CO)ccn3c2-c2ccnc(N)n2)c(F)c1
InChIInChI=1S/C20H18FN5O/c1-2-12-3-4-14(15(21)9-12)18-19(16-5-7-23-20(22)24-16)26-8-6-13(11-27)10-17(26)25-18/h3-10,27H,2,11H2,1H3,(H2,22,23,24)
InChIKeyPNDXZMJMTPGACR-UHFFFAOYSA-N
XLogP3.23
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 142199373) is [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is CCc1ccc(-c2nc3cc(CO)ccn3c2-c2ccnc(N)n2)c(F)c1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is PNDXZMJMTPGACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-2-12-3-4-14(15(21)9-12)18-19(16-5-7-23-20(22)24-16)26-8-6-13(11-27)10-17(26)25-18/h3-10,27H,2,11H2,1H3,(H2,22,23,24).
What are the key properties of [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 363.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 142199373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).