[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C18H20ClN5O2 — CID 140914434

IUPAC[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(N)C4)nc3n2)cc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-26-16-6-11(10-25)13(7-14(16)19)15-9-24-5-3-17(22-18(24)21-15)23-4-2-12(20)8-23/h3,5-7,9,12,25H,2,4,8,10,20H2,1H3
InChIKeyIBVQWTDDQFPPIF-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.09
Rot. Bonds4

About [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914434) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914434
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(N)C4)nc3n2)cc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-26-16-6-11(10-25)13(7-14(16)19)15-9-24-5-3-17(22-18(24)21-15)23-4-2-12(20)8-23/h3,5-7,9,12,25H,2,4,8,10,20H2,1H3
InChIKeyIBVQWTDDQFPPIF-UHFFFAOYSA-N
XLogP2.09
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914434) is [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCC(N)C4)nc3n2)cc1Cl.
What is the InChIKey of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is IBVQWTDDQFPPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-26-16-6-11(10-25)13(7-14(16)19)15-9-24-5-3-17(22-18(24)21-15)23-4-2-12(20)8-23/h3,5-7,9,12,25H,2,4,8,10,20H2,1H3.
What are the key properties of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 373.84 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).