N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane

C35H41N5O2 — CID 143511132

About N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane (PubChem CID 143511132) has the molecular formula C35H41N5O2 and a molecular weight of 563.75 g/mol. Its IUPAC name is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane
• PubChem CID: 143511132
• Molecular Formula: C35H41N5O2
• Molecular Weight: 563.75 g/mol
• Exact Mass: 563.33
• IUPAC Name: N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane
• SMILES: CC(C)C1CC1.CCC(C)C(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)c(C)c1
• InChI: InChI=1S/C29H29N5O2.C6H12/c1-4-18(2)28(35)33-21-8-10-23(19(3)14-21)27-25(16-30)24-11-9-22(36-29-31-12-5-13-32-29)15-26(24)34(27)17-20-6-7-20;1-5(2)6-3-4-6/h5,8-15,18,20H,4,6-7,17H2,1-3H3,(H,33,35);5-6H,3-4H2,1-2H3
• InChIKey: PMRXDEMDWRYHCK-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.75
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane?

The IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane (CID 143511132) is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane.

What is the SMILES notation for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane?

The canonical SMILES for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane is CC(C)C1CC1.CCC(C)C(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)c(C)c1.

What is the InChIKey of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane?

The InChIKey is PMRXDEMDWRYHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.C6H12/c1-4-18(2)28(35)33-21-8-10-23(19(3)14-21)27-25(16-30)24-11-9-22(36-29-31-12-5-13-32-29)15-26(24)34(27)17-20-6-7-20;1-5(2)6-3-4-6/h5,8-15,18,20H,4,6-7,17H2,1-3H3,(H,33,35);5-6H,3-4H2,1-2H3.

What are the key properties of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane?

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane has a molecular weight of 563.75 g/mol, XLogP of 8.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]-3-methylphenyl]-2-methylbutanamide;propan-2-ylcyclopropane is sourced from PubChem (CID 143511132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).