[2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C20H17ClN4O2 — CID 140914384

IUPAC[2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4cncc(N)c4)cc3n2)cc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-27-19-5-14(11-26)16(7-17(19)21)18-10-25-3-2-12(6-20(25)24-18)13-4-15(22)9-23-8-13/h2-10,26H,11,22H2,1H3
InChIKeyLVEHRWDFOKGNFG-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.80
Rot. Bonds4

About [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914384) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914384
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name[2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4cncc(N)c4)cc3n2)cc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-27-19-5-14(11-26)16(7-17(19)21)18-10-25-3-2-12(6-20(25)24-18)13-4-15(22)9-23-8-13/h2-10,26H,11,22H2,1H3
InChIKeyLVEHRWDFOKGNFG-UHFFFAOYSA-N
XLogP3.80
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914384) is [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(-c4cncc(N)c4)cc3n2)cc1Cl.
What is the InChIKey of [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is LVEHRWDFOKGNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-27-19-5-14(11-26)16(7-17(19)21)18-10-25-3-2-12(6-20(25)24-18)13-4-15(22)9-23-8-13/h2-10,26H,11,22H2,1H3.
What are the key properties of [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 380.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-(5-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).