pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone

C19H20N4O — CID 175652168

IUPACpyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCC(Cc2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C19H20N4O/c24-19(17-5-1-2-7-20-17)23-9-3-4-14(13-23)10-15-11-16-6-8-21-18(16)22-12-15/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,21,22)
InChIKeyRYKYMTPPRMTERQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.05
Rot. Bonds3

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

pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 175652168) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID175652168
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Namepyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCC(Cc2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C19H20N4O/c24-19(17-5-1-2-7-20-17)23-9-3-4-14(13-23)10-15-11-16-6-8-21-18(16)22-12-15/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,21,22)
InChIKeyRYKYMTPPRMTERQ-UHFFFAOYSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 127245013
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95827791
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
1-[(6S)-4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 125004091
1-[4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 110150777
(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone (CID 175652168) is pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccccn1)N1CCCC(Cc2cnc3[nH]ccc3c2)C1.
What is the InChIKey of pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RYKYMTPPRMTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(17-5-1-2-7-20-17)23-9-3-4-14(13-23)10-15-11-16-6-8-21-18(16)22-12-15/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,21,22).
What are the key properties of pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone?
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).