[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate

C30H28N4O2 — CID 59430504

About [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate (PubChem CID 59430504) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate
• PubChem CID: 59430504
• Molecular Formula: C30H28N4O2
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.22
• IUPAC Name: [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate
• SMILES: C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2CC2CC2)cc1)C1CC1
• InChI: InChI=1S/C30H28N4O2/c1-19(21-7-8-21)36-30(35)33-24-12-9-22(10-13-24)29-26(17-31)25-14-11-23(27-4-2-3-15-32-27)16-28(25)34(29)18-20-5-6-20/h2-4,9-16,19-21H,5-8,18H2,1H3,(H,33,35)/t19-/m1/s1
• InChIKey: RQDVMJGWAQUISL-LJQANCHMSA-N
• XLogP: 7.00
• TPSA: 79.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate?

The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate (CID 59430504) is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate.

What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate?

The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2CC2CC2)cc1)C1CC1.

What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate?

The InChIKey is RQDVMJGWAQUISL-LJQANCHMSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-19(21-7-8-21)36-30(35)33-24-12-9-22(10-13-24)29-26(17-31)25-14-11-23(27-4-2-3-15-32-27)16-28(25)34(29)18-20-5-6-20/h2-4,9-16,19-21H,5-8,18H2,1H3,(H,33,35)/t19-/m1/s1.

What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate?

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate has a molecular weight of 476.58 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59430504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).