4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C25H27N5O — CID 139350208

IUPAC4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESC[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C4CC4)nc3C3CC3)C2=O)c1
InChIInChI=1S/C25H27N5O/c1-15(10-23-28-26-14-29(23)2)18-4-3-5-19(11-18)30-13-21-20(25(30)31)12-22(16-6-7-16)27-24(21)17-8-9-17/h3-5,11-12,14-17H,6-10,13H2,1-2H3/t15-/m1/s1
InChIKeySAESNDQFCAWUJV-OAHLLOKOSA-N
MW413.53 g/mol
LogP4.47
Rot. Bonds6

About 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 139350208) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID139350208
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESC[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C4CC4)nc3C3CC3)C2=O)c1
InChIInChI=1S/C25H27N5O/c1-15(10-23-28-26-14-29(23)2)18-4-3-5-19(11-18)30-13-21-20(25(30)31)12-22(16-6-7-16)27-24(21)17-8-9-17/h3-5,11-12,14-17H,6-10,13H2,1-2H3/t15-/m1/s1
InChIKeySAESNDQFCAWUJV-OAHLLOKOSA-N
XLogP4.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 139350208) is 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(cc(C4CC4)nc3C3CC3)C2=O)c1.
What is the InChIKey of 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is SAESNDQFCAWUJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27N5O/c1-15(10-23-28-26-14-29(23)2)18-4-3-5-19(11-18)30-13-21-20(25(30)31)12-22(16-6-7-16)27-24(21)17-8-9-17/h3-5,11-12,14-17H,6-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 413.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclopropyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 139350208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).