4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C18H20N4 — CID 141455734

IUPAC4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cncc(CN2CCC(c3ccnc4[nH]ccc34)CC2)c1
InChIInChI=1S/C18H20N4/c1-2-14(12-19-7-1)13-22-10-5-15(6-11-22)16-3-8-20-18-17(16)4-9-21-18/h1-4,7-9,12,15H,5-6,10-11,13H2,(H,20,21)
InChIKeyCFHBJCCGDBPBHM-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.34
Rot. Bonds3

About 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141455734) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID141455734
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cncc(CN2CCC(c3ccnc4[nH]ccc34)CC2)c1
InChIInChI=1S/C18H20N4/c1-2-14(12-19-7-1)13-22-10-5-15(6-11-22)16-3-8-20-18-17(16)4-9-21-18/h1-4,7-9,12,15H,5-6,10-11,13H2,(H,20,21)
InChIKeyCFHBJCCGDBPBHM-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749012
[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methanol
CID 53341006
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395408
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridine
CID 71999804
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162749190
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136980302
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-fluoro-5-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]aniline
CID 89112762

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 141455734) is 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is c1cncc(CN2CCC(c3ccnc4[nH]ccc34)CC2)c1.
What is the InChIKey of 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CFHBJCCGDBPBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-14(12-19-7-1)13-22-10-5-15(6-11-22)16-3-8-20-18-17(16)4-9-21-18/h1-4,7-9,12,15H,5-6,10-11,13H2,(H,20,21).
What are the key properties of 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 292.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).