6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine

C21H22N6O — CID 134284504

IUPAC6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cc[nH]c1
InChIInChI=1S/C21H22N6O/c1-28-19-9-21-24-12-18(27(21)13-16(19)14-5-7-22-10-14)17-3-2-4-20(26-17)25-15-6-8-23-11-15/h2-5,7,9-10,12-13,15,22-23H,6,8,11H2,1H3,(H,25,26)
InChIKeyQPDIQLUWKLRREP-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds5

About 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine

6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 134284504) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID134284504
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cc[nH]c1
InChIInChI=1S/C21H22N6O/c1-28-19-9-21-24-12-18(27(21)13-16(19)14-5-7-22-10-14)17-3-2-4-20(26-17)25-15-6-8-23-11-15/h2-5,7,9-10,12-13,15,22-23H,6,8,11H2,1H3,(H,25,26)
InChIKeyQPDIQLUWKLRREP-UHFFFAOYSA-N
XLogP3.17
TPSA79.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine (CID 134284504) is 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine is COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cc[nH]c1.
What is the InChIKey of 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is QPDIQLUWKLRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-28-19-9-21-24-12-18(27(21)13-16(19)14-5-7-22-10-14)17-3-2-4-20(26-17)25-15-6-8-23-11-15/h2-5,7,9-10,12-13,15,22-23H,6,8,11H2,1H3,(H,25,26).
What are the key properties of 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine?
6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-methoxy-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 134284504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).