6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine

C28H32N6O3S — CID 70825734

About 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine

6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine (PubChem CID 70825734) has the molecular formula C28H32N6O3S and a molecular weight of 532.67 g/mol. Its IUPAC name is 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine.

Molecular Properties

• Compound Name: 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine
• PubChem CID: 70825734
• Molecular Formula: C28H32N6O3S
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.23
• IUPAC Name: 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine
• SMILES: C[C@H](NS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4ncccc4N)cc3n2C2CCC2)cc1)C1CC1
• InChI: InChI=1S/C28H32N6O3S/c1-17(18-7-8-18)32-38(35,36)33-20-11-9-19(10-12-20)27-26(30)23-14-13-22(37-28-24(29)6-3-15-31-28)16-25(23)34(27)21-4-2-5-21/h3,6,9-18,21,32-33H,2,4-5,7-8,29-30H2,1H3/t17-/m0/s1
• InChIKey: LREOAKIXOWSLFZ-KRWDZBQOSA-N
• XLogP: 5.43
• TPSA: 137.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine?

The IUPAC name of 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine (CID 70825734) is 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine.

What is the SMILES notation for 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine?

The canonical SMILES for 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine is C[C@H](NS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4ncccc4N)cc3n2C2CCC2)cc1)C1CC1.

What is the InChIKey of 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine?

The InChIKey is LREOAKIXOWSLFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H32N6O3S/c1-17(18-7-8-18)32-38(35,36)33-20-11-9-19(10-12-20)27-26(30)23-14-13-22(37-28-24(29)6-3-15-31-28)16-25(23)34(27)21-4-2-5-21/h3,6,9-18,21,32-33H,2,4-5,7-8,29-30H2,1H3/t17-/m0/s1.

What are the key properties of 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine?

6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine has a molecular weight of 532.67 g/mol, XLogP of 5.43, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-amino-2-pyridinyl)oxy]-1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]indol-3-amine is sourced from PubChem (CID 70825734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).