[4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

C22H23ClFN3O2 — CID 140914832

IUPAC[4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(C4=CCN(CCF)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H23ClFN3O2/c1-29-21-10-17(14-28)18(12-19(21)23)20-13-27-8-4-16(11-22(27)25-20)15-2-6-26(7-3-15)9-5-24/h2,4,8,10-13,28H,3,5-7,9,14H2,1H3
InChIKeyNQJNNBFOZBPFLK-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.21
Rot. Bonds6

About [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

[4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (PubChem CID 140914832) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
PubChem CID140914832
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC Name[4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(C4=CCN(CCF)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H23ClFN3O2/c1-29-21-10-17(14-28)18(12-19(21)23)20-13-27-8-4-16(11-22(27)25-20)15-2-6-26(7-3-15)9-5-24/h2,4,8,10-13,28H,3,5-7,9,14H2,1H3
InChIKeyNQJNNBFOZBPFLK-UHFFFAOYSA-N
XLogP4.21
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (CID 140914832) is [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(C4=CCN(CCF)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The InChIKey is NQJNNBFOZBPFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-29-21-10-17(14-28)18(12-19(21)23)20-13-27-8-4-16(11-22(27)25-20)15-2-6-26(7-3-15)9-5-24/h2,4,8,10-13,28H,3,5-7,9,14H2,1H3.
What are the key properties of [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
[4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 415.90 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[7-[1-(2-fluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).