[2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C21H26ClN5O2 — CID 140914524

IUPAC[2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCCC4)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O2/c1-29-20-8-14(13-28)15(9-16(20)22)17-11-27-12-18(24-5-4-23)19(10-21(27)25-17)26-6-2-3-7-26/h8-12,24,28H,2-7,13,23H2,1H3
InChIKeyUQXCLMDAIRVCRJ-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.13
Rot. Bonds7

About [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914524) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914524
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name[2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCCC4)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O2/c1-29-20-8-14(13-28)15(9-16(20)22)17-11-27-12-18(24-5-4-23)19(10-21(27)25-17)26-6-2-3-7-26/h8-12,24,28H,2-7,13,23H2,1H3
InChIKeyUQXCLMDAIRVCRJ-UHFFFAOYSA-N
XLogP3.13
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914524) is [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCCC4)cc3n2)cc1Cl.
What is the InChIKey of [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is UQXCLMDAIRVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-29-20-8-14(13-28)15(9-16(20)22)17-11-27-12-18(24-5-4-23)19(10-21(27)25-17)26-6-2-3-7-26/h8-12,24,28H,2-7,13,23H2,1H3.
What are the key properties of [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 415.93 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).