4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile

C24H25N5O2 — CID 118479328

IUPAC4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
SMILESCC(C)Oc1ccc(C#N)cc1C(=O)N1Cc2cn(-c3ccnc(C(C)C)c3)nc2C1
InChIInChI=1S/C24H25N5O2/c1-15(2)21-10-19(7-8-26-21)29-13-18-12-28(14-22(18)27-29)24(30)20-9-17(11-25)5-6-23(20)31-16(3)4/h5-10,13,15-16H,12,14H2,1-4H3
InChIKeyZLZSWJAHGVOKKK-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.21
Rot. Bonds5

About 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile

4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile (PubChem CID 118479328) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
PubChem CID118479328
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
SMILESCC(C)Oc1ccc(C#N)cc1C(=O)N1Cc2cn(-c3ccnc(C(C)C)c3)nc2C1
InChIInChI=1S/C24H25N5O2/c1-15(2)21-10-19(7-8-26-21)29-13-18-12-28(14-22(18)27-29)24(30)20-9-17(11-25)5-6-23(20)31-16(3)4/h5-10,13,15-16H,12,14H2,1-4H3
InChIKeyZLZSWJAHGVOKKK-UHFFFAOYSA-N
XLogP4.21
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
The IUPAC name of 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile (CID 118479328) is 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile.
What is the SMILES notation for 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
The canonical SMILES for 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile is CC(C)Oc1ccc(C#N)cc1C(=O)N1Cc2cn(-c3ccnc(C(C)C)c3)nc2C1.
What is the InChIKey of 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
The InChIKey is ZLZSWJAHGVOKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(2)21-10-19(7-8-26-21)29-13-18-12-28(14-22(18)27-29)24(30)20-9-17(11-25)5-6-23(20)31-16(3)4/h5-10,13,15-16H,12,14H2,1-4H3.
What are the key properties of 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile has a molecular weight of 415.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-3-[2-(2-propan-2-yl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile is sourced from PubChem (CID 118479328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).