4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile

C24H23N5O2 — CID 118479485

IUPAC4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
SMILESCCc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2OCC2CC2)C3)ccn1
InChIInChI=1S/C24H23N5O2/c1-2-19-10-20(7-8-26-19)29-13-18-12-28(14-22(18)27-29)24(30)21-9-17(11-25)5-6-23(21)31-15-16-3-4-16/h5-10,13,16H,2-4,12,14-15H2,1H3
InChIKeyDYQCIITXPXAFMZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.65
Rot. Bonds6

About 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile

4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile (PubChem CID 118479485) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
PubChem CID118479485
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
SMILESCCc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2OCC2CC2)C3)ccn1
InChIInChI=1S/C24H23N5O2/c1-2-19-10-20(7-8-26-19)29-13-18-12-28(14-22(18)27-29)24(30)21-9-17(11-25)5-6-23(21)31-15-16-3-4-16/h5-10,13,16H,2-4,12,14-15H2,1H3
InChIKeyDYQCIITXPXAFMZ-UHFFFAOYSA-N
XLogP3.65
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
The IUPAC name of 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile (CID 118479485) is 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
The canonical SMILES for 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile is CCc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2OCC2CC2)C3)ccn1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
The InChIKey is DYQCIITXPXAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-2-19-10-20(7-8-26-19)29-13-18-12-28(14-22(18)27-29)24(30)21-9-17(11-25)5-6-23(21)31-15-16-3-4-16/h5-10,13,16H,2-4,12,14-15H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile?
4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile has a molecular weight of 413.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile is sourced from PubChem (CID 118479485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).