4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one

C23H22ClN3O3 — CID 69080821

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one
SMILESCn1c(CCCO)cc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc21
InChIInChI=1S/C23H22ClN3O3/c1-26-19(3-2-10-28)11-16-4-7-20(12-22(16)26)27-9-8-21(13-23(27)29)30-15-18-6-5-17(24)14-25-18/h4-9,11-14,28H,2-3,10,15H2,1H3
InChIKeyGWRXSVWSXZXRLP-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.88
Rot. Bonds7

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one (PubChem CID 69080821) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one
PubChem CID69080821
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one
SMILESCn1c(CCCO)cc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc21
InChIInChI=1S/C23H22ClN3O3/c1-26-19(3-2-10-28)11-16-4-7-20(12-22(16)26)27-9-8-21(13-23(27)29)30-15-18-6-5-17(24)14-25-18/h4-9,11-14,28H,2-3,10,15H2,1H3
InChIKeyGWRXSVWSXZXRLP-UHFFFAOYSA-N
XLogP3.88
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one with MolForge

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Related Compounds

4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(hydroxymethyl)-3-methylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 69081815
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657399
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
CID 159970322
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006
4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one
CID 122625253
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
CID 66872771
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
CID 69079262
1-(11-bromo-3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 122625256
1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 66823430
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one (CID 69080821) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one is Cn1c(CCCO)cc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc21.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one?
The InChIKey is GWRXSVWSXZXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-26-19(3-2-10-28)11-16-4-7-20(12-22(16)26)27-9-8-21(13-23(27)29)30-15-18-6-5-17(24)14-25-18/h4-9,11-14,28H,2-3,10,15H2,1H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one has a molecular weight of 423.90 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one is sourced from PubChem (CID 69080821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).