5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one

C30H31N7O — CID 177380912

IUPAC5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one
SMILESCn1cc(-c2ccc3ccn(C(C)(c4ccccn4)c4ccccn4)c3n2)cc(NC2CCNCC2)c1=O
InChIInChI=1S/C30H31N7O/c1-30(26-7-3-5-14-32-26,27-8-4-6-15-33-27)37-18-13-21-9-10-24(35-28(21)37)22-19-25(29(38)36(2)20-22)34-23-11-16-31-17-12-23/h3-10,13-15,18-20,23,31,34H,11-12,16-17H2,1-2H3
InChIKeyIBBQJSPOHOGYHW-UHFFFAOYSA-N
MW505.63 g/mol
LogP4.17
Rot. Bonds6

About 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one

5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one (PubChem CID 177380912) has the molecular formula C30H31N7O and a molecular weight of 505.63 g/mol. Its IUPAC name is 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one
PubChem CID177380912
Molecular FormulaC30H31N7O
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Name5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one
SMILESCn1cc(-c2ccc3ccn(C(C)(c4ccccn4)c4ccccn4)c3n2)cc(NC2CCNCC2)c1=O
InChIInChI=1S/C30H31N7O/c1-30(26-7-3-5-14-32-26,27-8-4-6-15-33-27)37-18-13-21-9-10-24(35-28(21)37)22-19-25(29(38)36(2)20-22)34-23-11-16-31-17-12-23/h3-10,13-15,18-20,23,31,34H,11-12,16-17H2,1-2H3
InChIKeyIBBQJSPOHOGYHW-UHFFFAOYSA-N
XLogP4.17
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one?
The IUPAC name of 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one (CID 177380912) is 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one.
What is the SMILES notation for 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one?
The canonical SMILES for 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one is Cn1cc(-c2ccc3ccn(C(C)(c4ccccn4)c4ccccn4)c3n2)cc(NC2CCNCC2)c1=O.
What is the InChIKey of 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one?
The InChIKey is IBBQJSPOHOGYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O/c1-30(26-7-3-5-14-32-26,27-8-4-6-15-33-27)37-18-13-21-9-10-24(35-28(21)37)22-19-25(29(38)36(2)20-22)34-23-11-16-31-17-12-23/h3-10,13-15,18-20,23,31,34H,11-12,16-17H2,1-2H3.
What are the key properties of 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one?
5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one has a molecular weight of 505.63 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,1-dipyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]-1-methyl-3-(piperidin-4-ylamino)pyridin-2-one is sourced from PubChem (CID 177380912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).