6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

C22H24ClN5O4S — CID 10413253

IUPAC6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1)C2
InChIInChI=1S/C22H24ClN5O4S/c1-14-24-12-18-13-27(22(30)28(14)18)17-4-7-26(8-5-17)21(29)6-9-33(31,32)20-11-15-10-16(23)2-3-19(15)25-20/h2-3,10-12,17,25H,4-9,13H2,1H3
InChIKeyHKNRGZMVLDFQPM-UHFFFAOYSA-N
MW489.99 g/mol
LogP2.96
Rot. Bonds5

About 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 10413253) has the molecular formula C22H24ClN5O4S and a molecular weight of 489.99 g/mol. Its IUPAC name is 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID10413253
Molecular FormulaC22H24ClN5O4S
Molecular Weight489.99 g/mol
Exact Mass489.12
IUPAC Name6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1)C2
InChIInChI=1S/C22H24ClN5O4S/c1-14-24-12-18-13-27(22(30)28(14)18)17-4-7-26(8-5-17)21(29)6-9-33(31,32)20-11-15-10-16(23)2-3-19(15)25-20/h2-3,10-12,17,25H,4-9,13H2,1H3
InChIKeyHKNRGZMVLDFQPM-UHFFFAOYSA-N
XLogP2.96
TPSA108.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.99
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 10413253) is 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1)C2.
What is the InChIKey of 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is HKNRGZMVLDFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O4S/c1-14-24-12-18-13-27(22(30)28(14)18)17-4-7-26(8-5-17)21(29)6-9-33(31,32)20-11-15-10-16(23)2-3-19(15)25-20/h2-3,10-12,17,25H,4-9,13H2,1H3.
What are the key properties of 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 489.99 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 10413253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).