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

C25H21ClFN5O3 — CID 175716816

IUPAC1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nn1c(-c2ccncc2OCc2ncccc2F)cc2c1CCNC2=O
InChIInChI=1S/C25H21ClFN5O3/c1-34-24-17(26)4-2-6-19(24)31-32-21-8-11-30-25(33)16(21)12-22(32)15-7-10-28-13-23(15)35-14-20-18(27)5-3-9-29-20/h2-7,9-10,12-13,31H,8,11,14H2,1H3,(H,30,33)
InChIKeyWNPWGUXPVWXZFZ-UHFFFAOYSA-N
MW493.93 g/mol
LogP4.49
Rot. Bonds7

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

1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 175716816) has the molecular formula C25H21ClFN5O3 and a molecular weight of 493.93 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID175716816
Molecular FormulaC25H21ClFN5O3
Molecular Weight493.93 g/mol
Exact Mass493.13
IUPAC Name1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nn1c(-c2ccncc2OCc2ncccc2F)cc2c1CCNC2=O
InChIInChI=1S/C25H21ClFN5O3/c1-34-24-17(26)4-2-6-19(24)31-32-21-8-11-30-25(33)16(21)12-22(32)15-7-10-28-13-23(15)35-14-20-18(27)5-3-9-29-20/h2-7,9-10,12-13,31H,8,11,14H2,1H3,(H,30,33)
InChIKeyWNPWGUXPVWXZFZ-UHFFFAOYSA-N
XLogP4.49
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 175716816) is 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-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-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is COc1c(Cl)cccc1Nn1c(-c2ccncc2OCc2ncccc2F)cc2c1CCNC2=O.
What is the InChIKey of 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WNPWGUXPVWXZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O3/c1-34-24-17(26)4-2-6-19(24)31-32-21-8-11-30-25(33)16(21)12-22(32)15-7-10-28-13-23(15)35-14-20-18(27)5-3-9-29-20/h2-7,9-10,12-13,31H,8,11,14H2,1H3,(H,30,33).
What are the key properties of 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 493.93 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyanilino)-2-[3-[(3-fluoro-2-pyridinyl)methoxy]-4-pyridinyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 175716816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).