2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

C28H25N5O2 — CID 135355340

IUPAC2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CC3CC3)c(=O)c2)cc1=O
InChIInChI=1S/C28H25N5O2/c1-31-17-25(23(12-27(31)34)20-9-10-32(28(35)11-20)15-18-5-6-18)21-14-30-33(16-21)26-4-2-3-22(19-7-8-19)24(26)13-29/h2-4,9-12,14,16-19H,5-8,15H2,1H3
InChIKeyVUVLGZLCRRDDSJ-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.23
Rot. Bonds6

About 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355340) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355340
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CC3CC3)c(=O)c2)cc1=O
InChIInChI=1S/C28H25N5O2/c1-31-17-25(23(12-27(31)34)20-9-10-32(28(35)11-20)15-18-5-6-18)21-14-30-33(16-21)26-4-2-3-22(19-7-8-19)24(26)13-29/h2-4,9-12,14,16-19H,5-8,15H2,1H3
InChIKeyVUVLGZLCRRDDSJ-UHFFFAOYSA-N
XLogP4.23
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355340) is 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CC3CC3)c(=O)c2)cc1=O.
What is the InChIKey of 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is VUVLGZLCRRDDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-31-17-25(23(12-27(31)34)20-9-10-32(28(35)11-20)15-18-5-6-18)21-14-30-33(16-21)26-4-2-3-22(19-7-8-19)24(26)13-29/h2-4,9-12,14,16-19H,5-8,15H2,1H3.
What are the key properties of 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 463.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-[4-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).