3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C25H27N5O2 — CID 134802509

IUPAC3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C(C)C)N(C1CCN(C(=O)c3ccncc3)C1)C2=O
InChIInChI=1S/C25H27N5O2/c1-16(2)22-21-17(3)27-30(19-7-5-4-6-8-19)23(21)25(32)29(22)20-11-14-28(15-20)24(31)18-9-12-26-13-10-18/h4-10,12-13,16,20,22H,11,14-15H2,1-3H3
InChIKeyGGAZOVNLAYUQSX-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.64
Rot. Bonds4

About 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134802509) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134802509
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C(C)C)N(C1CCN(C(=O)c3ccncc3)C1)C2=O
InChIInChI=1S/C25H27N5O2/c1-16(2)22-21-17(3)27-30(19-7-5-4-6-8-19)23(21)25(32)29(22)20-11-14-28(15-20)24(31)18-9-12-26-13-10-18/h4-10,12-13,16,20,22H,11,14-15H2,1-3H3
InChIKeyGGAZOVNLAYUQSX-UHFFFAOYSA-N
XLogP3.64
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134802509) is 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C(C)C)N(C1CCN(C(=O)c3ccncc3)C1)C2=O.
What is the InChIKey of 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GGAZOVNLAYUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16(2)22-21-17(3)27-30(19-7-5-4-6-8-19)23(21)25(32)29(22)20-11-14-28(15-20)24(31)18-9-12-26-13-10-18/h4-10,12-13,16,20,22H,11,14-15H2,1-3H3.
What are the key properties of 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 429.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-propan-2-yl-5-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134802509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).