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

C17H17N5O — CID 156810735

IUPACpiperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2cncnc2)c1)N1CCCCC1
InChIInChI=1S/C17H17N5O/c23-17(21-5-2-1-3-6-21)14-8-13-4-7-22(16(13)20-9-14)15-10-18-12-19-11-15/h4,7-12H,1-3,5-6H2
InChIKeyVWBZKASACOIODL-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.44
Rot. Bonds2

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

piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 156810735) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID156810735
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Namepiperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2cncnc2)c1)N1CCCCC1
InChIInChI=1S/C17H17N5O/c23-17(21-5-2-1-3-6-21)14-8-13-4-7-22(16(13)20-9-14)15-10-18-12-19-11-15/h4,7-12H,1-3,5-6H2
InChIKeyVWBZKASACOIODL-UHFFFAOYSA-N
XLogP2.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
[1-(6-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811222
[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 164969812
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
CID 156811294
[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]boronic acid
CID 167448824
[1-(3-methylsulfinylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 178044013
azepan-1-yl-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167448880
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 175586985
N-[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 167448904
ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate
CID 167448960
(4,4-difluoropiperidin-1-yl)-[1-[5-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156810824

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 156810735) is piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is O=C(c1cnc2c(ccn2-c2cncnc2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is VWBZKASACOIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(21-5-2-1-3-6-21)14-8-13-4-7-22(16(13)20-9-14)15-10-18-12-19-11-15/h4,7-12H,1-3,5-6H2.
What are the key properties of piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 156810735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).