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

C18H18N4O — CID 110258466

IUPACpyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Cc2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C18H18N4O/c23-18(16-2-1-5-19-11-16)22-7-4-13(12-22)8-14-9-15-3-6-20-17(15)21-10-14/h1-3,5-6,9-11,13H,4,7-8,12H2,(H,20,21)
InChIKeyLUZATGCETBZZCA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.66
Rot. Bonds3

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

pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 110258466) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID110258466
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Namepyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Cc2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C18H18N4O/c23-18(16-2-1-5-19-11-16)22-7-4-13(12-22)8-14-9-15-3-6-20-17(15)21-10-14/h1-3,5-6,9-11,13H,4,7-8,12H2,(H,20,21)
InChIKeyLUZATGCETBZZCA-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 127245013
(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652168
5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95827791
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
1-[4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 110150777
1-[(6S)-4-(2-phenylbenzoyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 125004091

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone (CID 110258466) is pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(Cc2cnc3[nH]ccc3c2)C1.
What is the InChIKey of pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LUZATGCETBZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(16-2-1-5-19-11-16)22-7-4-13(12-22)8-14-9-15-3-6-20-17(15)21-10-14/h1-3,5-6,9-11,13H,4,7-8,12H2,(H,20,21).
What are the key properties of pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone?
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110258466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).