1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C24H21ClN6O3 — CID 175716859

IUPAC1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nn1c(-c2ccncc2OCc2cnccn2)cc2c1CCNC2=O
InChIInChI=1S/C24H21ClN6O3/c1-33-23-18(25)3-2-4-19(23)30-31-20-6-8-29-24(32)17(20)11-21(31)16-5-7-26-13-22(16)34-14-15-12-27-9-10-28-15/h2-5,7,9-13,30H,6,8,14H2,1H3,(H,29,32)
InChIKeyUGUKXYXWEYJIMH-UHFFFAOYSA-N
MW476.92 g/mol
LogP3.74
Rot. Bonds7

About 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 175716859) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID175716859
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nn1c(-c2ccncc2OCc2cnccn2)cc2c1CCNC2=O
InChIInChI=1S/C24H21ClN6O3/c1-33-23-18(25)3-2-4-19(23)30-31-20-6-8-29-24(32)17(20)11-21(31)16-5-7-26-13-22(16)34-14-15-12-27-9-10-28-15/h2-5,7,9-13,30H,6,8,14H2,1H3,(H,29,32)
InChIKeyUGUKXYXWEYJIMH-UHFFFAOYSA-N
XLogP3.74
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 175716859) is 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is COc1c(Cl)cccc1Nn1c(-c2ccncc2OCc2cnccn2)cc2c1CCNC2=O.
What is the InChIKey of 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UGUKXYXWEYJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-33-23-18(25)3-2-4-19(23)30-31-20-6-8-29-24(32)17(20)11-21(31)16-5-7-26-13-22(16)34-14-15-12-27-9-10-28-15/h2-5,7,9-13,30H,6,8,14H2,1H3,(H,29,32).
What are the key properties of 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 476.92 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyanilino)-2-[3-(pyrazin-2-ylmethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 175716859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).