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

C22H20Cl2N6O2 — CID 130418037

IUPAC4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2(c3ccc(Cc4nn[nH]n4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C22H20Cl2N6O2/c1-30-17-7-6-16(23)20(24)15(17)11-18(30)21(31)25-22(8-9-32-12-22)14-4-2-13(3-5-14)10-19-26-28-29-27-19/h2-7,11H,8-10,12H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKeyQCUZDFSSULJMKC-UHFFFAOYSA-N
MW471.35 g/mol
LogP3.63
Rot. Bonds5

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

4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide (PubChem CID 130418037) has the molecular formula C22H20Cl2N6O2 and a molecular weight of 471.35 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide
PubChem CID130418037
Molecular FormulaC22H20Cl2N6O2
Molecular Weight471.35 g/mol
Exact Mass470.10
IUPAC Name4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2(c3ccc(Cc4nn[nH]n4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C22H20Cl2N6O2/c1-30-17-7-6-16(23)20(24)15(17)11-18(30)21(31)25-22(8-9-32-12-22)14-4-2-13(3-5-14)10-19-26-28-29-27-19/h2-7,11H,8-10,12H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKeyQCUZDFSSULJMKC-UHFFFAOYSA-N
XLogP3.63
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 53.63
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-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide (CID 130418037) is 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide is Cn1c(C(=O)NC2(c3ccc(Cc4nn[nH]n4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide?
The InChIKey is QCUZDFSSULJMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O2/c1-30-17-7-6-16(23)20(24)15(17)11-18(30)21(31)25-22(8-9-32-12-22)14-4-2-13(3-5-14)10-19-26-28-29-27-19/h2-7,11H,8-10,12H2,1H3,(H,25,31)(H,26,27,28,29).
What are the key properties of 4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide?
4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide has a molecular weight of 471.35 g/mol, XLogP of 3.63, 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-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide is sourced from PubChem (CID 130418037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).