4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide

C23H22Cl2N6O2 — CID 130418194

IUPAC4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide
SMILESCC(c1ccc(C2(NC(=O)c3cc4c(Cl)c(Cl)ccc4n3C)CCOC2)cc1)c1nn[nH]n1
InChIInChI=1S/C23H22Cl2N6O2/c1-13(21-27-29-30-28-21)14-3-5-15(6-4-14)23(9-10-33-12-23)26-22(32)19-11-16-18(31(19)2)8-7-17(24)20(16)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,32)(H,27,28,29,30)
InChIKeyPTWCIYUPTCUQKN-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.20
Rot. Bonds5

About 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide

4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide (PubChem CID 130418194) has the molecular formula C23H22Cl2N6O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide
PubChem CID130418194
Molecular FormulaC23H22Cl2N6O2
Molecular Weight485.38 g/mol
Exact Mass484.12
IUPAC Name4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide
SMILESCC(c1ccc(C2(NC(=O)c3cc4c(Cl)c(Cl)ccc4n3C)CCOC2)cc1)c1nn[nH]n1
InChIInChI=1S/C23H22Cl2N6O2/c1-13(21-27-29-30-28-21)14-3-5-15(6-4-14)23(9-10-33-12-23)26-22(32)19-11-16-18(31(19)2)8-7-17(24)20(16)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,32)(H,27,28,29,30)
InChIKeyPTWCIYUPTCUQKN-UHFFFAOYSA-N
XLogP4.20
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide (CID 130418194) is 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide is CC(c1ccc(C2(NC(=O)c3cc4c(Cl)c(Cl)ccc4n3C)CCOC2)cc1)c1nn[nH]n1.
What is the InChIKey of 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide?
The InChIKey is PTWCIYUPTCUQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O2/c1-13(21-27-29-30-28-21)14-3-5-15(6-4-14)23(9-10-33-12-23)26-22(32)19-11-16-18(31(19)2)8-7-17(24)20(16)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,32)(H,27,28,29,30).
What are the key properties of 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide?
4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide has a molecular weight of 485.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide is sourced from PubChem (CID 130418194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).