piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C18H18N4O — CID 156810838

IUPACpiperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2ccccn2)c1)N1CCCCC1
InChIInChI=1S/C18H18N4O/c23-18(21-9-4-1-5-10-21)15-12-14-7-11-22(17(14)20-13-15)16-6-2-3-8-19-16/h2-3,6-8,11-13H,1,4-5,9-10H2
InChIKeyNLZLPNHMDPCVBP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.05
Rot. Bonds2

About piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 156810838) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID156810838
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Namepiperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2ccccn2)c1)N1CCCCC1
InChIInChI=1S/C18H18N4O/c23-18(21-9-4-1-5-10-21)15-12-14-7-11-22(17(14)20-13-15)16-6-2-3-8-19-16/h2-3,6-8,11-13H,1,4-5,9-10H2
InChIKeyNLZLPNHMDPCVBP-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 156810838) is piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is O=C(c1cnc2c(ccn2-c2ccccn2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is NLZLPNHMDPCVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(21-9-4-1-5-10-21)15-12-14-7-11-22(17(14)20-13-15)16-6-2-3-8-19-16/h2-3,6-8,11-13H,1,4-5,9-10H2.
What are the key properties of piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 156810838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).