N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride

C20H24Cl2N4O3 — CID 119859782

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)C2CCNC2)cc1OCc1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C20H22N4O3.2ClH/c1-26-17-6-5-15(23-20(25)14-7-8-21-11-14)10-18(17)27-13-16-12-24-9-3-2-4-19(24)22-16;;/h2-6,9-10,12,14,21H,7-8,11,13H2,1H3,(H,23,25);2*1H
InChIKeyYXUASJYWMYUUTI-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.31
Rot. Bonds6

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119859782) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119859782
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)C2CCNC2)cc1OCc1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C20H22N4O3.2ClH/c1-26-17-6-5-15(23-20(25)14-7-8-21-11-14)10-18(17)27-13-16-12-24-9-3-2-4-19(24)22-16;;/h2-6,9-10,12,14,21H,7-8,11,13H2,1H3,(H,23,25);2*1H
InChIKeyYXUASJYWMYUUTI-UHFFFAOYSA-N
XLogP3.31
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119859749
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-pyrrolidin-2-ylacetamide
CID 119859777
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119875040
1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55825518
2-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-methylpropanamide
CID 119859743
4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 52668432
3-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55826214
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]piperidine-1-sulfonamide
CID 155948919
(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120636307
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
4-(difluoromethylsulfonyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 55950861

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119859782) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride is COc1ccc(NC(=O)C2CCNC2)cc1OCc1cn2ccccc2n1.Cl.Cl.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is YXUASJYWMYUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.2ClH/c1-26-17-6-5-15(23-20(25)14-7-8-21-11-14)10-18(17)27-13-16-12-24-9-3-2-4-19(24)22-16;;/h2-6,9-10,12,14,21H,7-8,11,13H2,1H3,(H,23,25);2*1H.
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 439.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119859782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).