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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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).