methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate

C28H24N6O2 — CID 71730871

About methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate

methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate (PubChem CID 71730871) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate
• PubChem CID: 71730871
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate
• SMILES: COC(=O)Nc1ccc(-c2ccc3ncc4c(C)nn(-c5ccc(C(C)(C)C#N)cc5)c4c3c2)cn1
• InChI: InChI=1S/C28H24N6O2/c1-17-23-15-30-24-11-5-18(19-6-12-25(31-14-19)32-27(35)36-4)13-22(24)26(23)34(33-17)21-9-7-20(8-10-21)28(2,3)16-29/h5-15H,1-4H3,(H,31,32,35)
• InChIKey: LYFMBXGQAQYLGT-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 105.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate?

The IUPAC name of methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate (CID 71730871) is methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate?

The canonical SMILES for methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2ccc3ncc4c(C)nn(-c5ccc(C(C)(C)C#N)cc5)c4c3c2)cn1.

What is the InChIKey of methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate?

The InChIKey is LYFMBXGQAQYLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-17-23-15-30-24-11-5-18(19-6-12-25(31-14-19)32-27(35)36-4)13-22(24)26(23)34(33-17)21-9-7-20(8-10-21)28(2,3)16-29/h5-15H,1-4H3,(H,31,32,35).

What are the key properties of methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate?

methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate has a molecular weight of 476.54 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpyrazolo[4,3-c]quinolin-8-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 71730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).