4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C24H23N5O2 — CID 134801487

IUPAC4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CN(C(=O)c3ccncc3)C1)C2=O
InChIInChI=1S/C24H23N5O2/c1-15-20-21(16-7-8-16)28(19-13-27(14-19)23(30)17-9-11-25-12-10-17)24(31)22(20)29(26-15)18-5-3-2-4-6-18/h2-6,9-12,16,19,21H,7-8,13-14H2,1H3
InChIKeyOUONKXMTKZXMAS-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.01
Rot. Bonds4

About 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801487) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134801487
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CN(C(=O)c3ccncc3)C1)C2=O
InChIInChI=1S/C24H23N5O2/c1-15-20-21(16-7-8-16)28(19-13-27(14-19)23(30)17-9-11-25-12-10-17)24(31)22(20)29(26-15)18-5-3-2-4-6-18/h2-6,9-12,16,19,21H,7-8,13-14H2,1H3
InChIKeyOUONKXMTKZXMAS-UHFFFAOYSA-N
XLogP3.01
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801487) is 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CN(C(=O)c3ccncc3)C1)C2=O.
What is the InChIKey of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is OUONKXMTKZXMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-20-21(16-7-8-16)28(19-13-27(14-19)23(30)17-9-11-25-12-10-17)24(31)22(20)29(26-15)18-5-3-2-4-6-18/h2-6,9-12,16,19,21H,7-8,13-14H2,1H3.
What are the key properties of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 413.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).