2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C25H27ClN4O2 — CID 142916859

IUPAC2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC1C=C(Cl)C(/C=C/c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)=C(N2CCOCC2)C1
InChIInChI=1S/C25H27ClN4O2/c1-16-12-21(26)19(24(13-16)30-8-10-32-11-9-30)3-2-18-14-17(4-6-27-18)23-15-20-22(29-23)5-7-28-25(20)31/h2-4,6,12,14-16,29H,5,7-11,13H2,1H3,(H,28,31)/b3-2+
InChIKeyPMGCKYDAHAAJTG-NSCUHMNNSA-N
MW450.97 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142916859) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142916859
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC1C=C(Cl)C(/C=C/c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)=C(N2CCOCC2)C1
InChIInChI=1S/C25H27ClN4O2/c1-16-12-21(26)19(24(13-16)30-8-10-32-11-9-30)3-2-18-14-17(4-6-27-18)23-15-20-22(29-23)5-7-28-25(20)31/h2-4,6,12,14-16,29H,5,7-11,13H2,1H3,(H,28,31)/b3-2+
InChIKeyPMGCKYDAHAAJTG-NSCUHMNNSA-N
XLogP4.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142916859) is 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC1C=C(Cl)C(/C=C/c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)=C(N2CCOCC2)C1.
What is the InChIKey of 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PMGCKYDAHAAJTG-NSCUHMNNSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-16-12-21(26)19(24(13-16)30-8-10-32-11-9-30)3-2-18-14-17(4-6-27-18)23-15-20-22(29-23)5-7-28-25(20)31/h2-4,6,12,14-16,29H,5,7-11,13H2,1H3,(H,28,31)/b3-2+.
What are the key properties of 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 450.97 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(6-chloro-4-methyl-2-morpholin-4-ylcyclohexa-1,5-dien-1-yl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142916859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).