6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one

C18H19N3O2 — CID 53164579

IUPAC6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1c2c(ccn1CC1CCCO1)ccn2Cc1cccnc1
InChIInChI=1S/C18H19N3O2/c22-18-17-15(6-9-21(18)13-16-4-2-10-23-16)5-8-20(17)12-14-3-1-7-19-11-14/h1,3,5-9,11,16H,2,4,10,12-13H2
InChIKeyJGORJDNYUNMDMY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.43
Rot. Bonds4

About 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one

6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 53164579) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID53164579
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1c2c(ccn1CC1CCCO1)ccn2Cc1cccnc1
InChIInChI=1S/C18H19N3O2/c22-18-17-15(6-9-21(18)13-16-4-2-10-23-16)5-8-20(17)12-14-3-1-7-19-11-14/h1,3,5-9,11,16H,2,4,10,12-13H2
InChIKeyJGORJDNYUNMDMY-UHFFFAOYSA-N
XLogP2.43
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione
CID 66499564
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
6-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164602
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
3-[[(2R)-oxolan-2-yl]methyl]-2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25344240
6-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 51567844
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172660780
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735
2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930756
2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
CID 166090821
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one (CID 53164579) is 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one is O=c1c2c(ccn1CC1CCCO1)ccn2Cc1cccnc1.
What is the InChIKey of 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is JGORJDNYUNMDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18-17-15(6-9-21(18)13-16-4-2-10-23-16)5-8-20(17)12-14-3-1-7-19-11-14/h1,3,5-9,11,16H,2,4,10,12-13H2.
What are the key properties of 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 309.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 53164579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).