1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine

C17H22N4 — CID 79109900

IUPAC1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(Cc2cn3ccccc3n2)c1)C(C)C
InChIInChI=1S/C17H22N4/c1-13(2)17(18-3)14-7-9-20(10-14)11-15-12-21-8-5-4-6-16(21)19-15/h4-10,12-13,17-18H,11H2,1-3H3
InChIKeyKFQZLYQEUQVNBY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine

1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine (PubChem CID 79109900) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
PubChem CID79109900
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(Cc2cn3ccccc3n2)c1)C(C)C
InChIInChI=1S/C17H22N4/c1-13(2)17(18-3)14-7-9-20(10-14)11-15-12-21-8-5-4-6-16(21)19-15/h4-10,12-13,17-18H,11H2,1-3H3
InChIKeyKFQZLYQEUQVNBY-UHFFFAOYSA-N
XLogP3.10
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79109628
N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097378
N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79097804
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719446
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 134011385
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
(1R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348736
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097544
N,2-dimethyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096970
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
N-ethyl-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]ethanamine
CID 79985990

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine (CID 79109900) is 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccn(Cc2cn3ccccc3n2)c1)C(C)C.
What is the InChIKey of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is KFQZLYQEUQVNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13(2)17(18-3)14-7-9-20(10-14)11-15-12-21-8-5-4-6-16(21)19-15/h4-10,12-13,17-18H,11H2,1-3H3.
What are the key properties of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79109900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).