2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide

C30H29N5O4S — CID 177175615

IUPAC2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4cc(NS(=O)(=O)C5CC5)ccn4)Cc4ccccc4C3)cc2)n1
InChIInChI=1S/C30H29N5O4S/c1-2-39-28-19-31-18-26(34-28)20-7-9-23(10-8-20)33-29(36)30(16-21-5-3-4-6-22(21)17-30)27-15-24(13-14-32-27)35-40(37,38)25-11-12-25/h3-10,13-15,18-19,25H,2,11-12,16-17H2,1H3,(H,32,35)(H,33,36)
InChIKeyATHCUXJLBPVLHR-UHFFFAOYSA-N
MW555.66 g/mol
LogP4.52
Rot. Bonds9

About 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide

2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide (PubChem CID 177175615) has the molecular formula C30H29N5O4S and a molecular weight of 555.66 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
PubChem CID177175615
Molecular FormulaC30H29N5O4S
Molecular Weight555.66 g/mol
Exact Mass555.19
IUPAC Name2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4cc(NS(=O)(=O)C5CC5)ccn4)Cc4ccccc4C3)cc2)n1
InChIInChI=1S/C30H29N5O4S/c1-2-39-28-19-31-18-26(34-28)20-7-9-23(10-8-20)33-29(36)30(16-21-5-3-4-6-22(21)17-30)27-15-24(13-14-32-27)35-40(37,38)25-11-12-25/h3-10,13-15,18-19,25H,2,11-12,16-17H2,1H3,(H,32,35)(H,33,36)
InChIKeyATHCUXJLBPVLHR-UHFFFAOYSA-N
XLogP4.52
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide (CID 177175615) is 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4cc(NS(=O)(=O)C5CC5)ccn4)Cc4ccccc4C3)cc2)n1.
What is the InChIKey of 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is ATHCUXJLBPVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O4S/c1-2-39-28-19-31-18-26(34-28)20-7-9-23(10-8-20)33-29(36)30(16-21-5-3-4-6-22(21)17-30)27-15-24(13-14-32-27)35-40(37,38)25-11-12-25/h3-10,13-15,18-19,25H,2,11-12,16-17H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide?
2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 555.66 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 177175615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).