N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide

C26H29N5O3S — CID 70826013

About N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide

N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide (PubChem CID 70826013) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide
• PubChem CID: 70826013
• Molecular Formula: C26H29N5O3S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4ccncc4N)cc3n2CC2CC2)cc1
• InChI: InChI=1S/C26H29N5O3S/c1-2-13-35(32,33)30-19-7-5-18(6-8-19)26-25(28)21-10-9-20(34-24-11-12-29-15-22(24)27)14-23(21)31(26)16-17-3-4-17/h5-12,14-15,17,30H,2-4,13,16,27-28H2,1H3
• InChIKey: IROXBHSYAWFWBU-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 125.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide (CID 70826013) is N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4ccncc4N)cc3n2CC2CC2)cc1.

What is the InChIKey of N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide?

The InChIKey is IROXBHSYAWFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-2-13-35(32,33)30-19-7-5-18(6-8-19)26-25(28)21-10-9-20(34-24-11-12-29-15-22(24)27)14-23(21)31(26)16-17-3-4-17/h5-12,14-15,17,30H,2-4,13,16,27-28H2,1H3.

What are the key properties of N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide?

N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide has a molecular weight of 491.62 g/mol, XLogP of 5.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70826013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).