7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile

C18H18N6O — CID 134300680

IUPAC7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C#N
InChIInChI=1S/C18H18N6O/c1-25-16-7-18-21-10-15(24(18)11-12(16)8-19)14-3-2-4-17(23-14)22-13-5-6-20-9-13/h2-4,7,10-11,13,20H,5-6,9H2,1H3,(H,22,23)
InChIKeyNPJRSFLHNQNUQF-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.05
Rot. Bonds4

About 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile

7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 134300680) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID134300680
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C#N
InChIInChI=1S/C18H18N6O/c1-25-16-7-18-21-10-15(24(18)11-12(16)8-19)14-3-2-4-17(23-14)22-13-5-6-20-9-13/h2-4,7,10-11,13,20H,5-6,9H2,1H3,(H,22,23)
InChIKeyNPJRSFLHNQNUQF-UHFFFAOYSA-N
XLogP2.05
TPSA87.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284285
4-N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 73775160
3-[(2-Methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720389
N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587470
6-(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyl-2H-1,2,3-triazol-4-yl)phenyl]methyl]-4-pyrimidinamine
CID 155587672
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587884
6-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 163632878
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163766315
N-((3S,4S)-3-fluoro-piperidin-4-yl)-6-(7-methoxy-6-(1-methyl-1 H-pyrazol-4-yl)-imidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163818545
3,5-difluoro-N-((3S,4S)-4-fluoropyrrolidin-3-yl)-6-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163829148
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 164023848

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 134300680) is 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile is COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1C#N.
What is the InChIKey of 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is NPJRSFLHNQNUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-25-16-7-18-21-10-15(24(18)11-12(16)8-19)14-3-2-4-17(23-14)22-13-5-6-20-9-13/h2-4,7,10-11,13,20H,5-6,9H2,1H3,(H,22,23).
What are the key properties of 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile?
7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 134300680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).