11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide

C38H30Cl2N4O2 — CID 123504867

IUPAC11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide
SMILESCC1CCC(Oc2ncccc2NC(=O)c2[nH]c3cc(Cl)cc4c3c2C2=C(c3ccccc3)C=C=CN2C4c2ccc(Cl)cc2)C1
InChIInChI=1S/C38H30Cl2N4O2/c1-22-11-16-27(19-22)46-38-30(10-5-17-41-38)43-37(45)34-33-32-29(20-26(40)21-31(32)42-34)35(24-12-14-25(39)15-13-24)44-18-6-9-28(36(33)44)23-7-3-2-4-8-23/h2-5,7-10,12-15,17-18,20-22,27,35,42H,11,16,19H2,1H3,(H,43,45)
InChIKeyZWBJKXJPNXOXKA-UHFFFAOYSA-N
MW645.59 g/mol
LogP9.65
Rot. Bonds6

About 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide

11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide (PubChem CID 123504867) has the molecular formula C38H30Cl2N4O2 and a molecular weight of 645.59 g/mol. Its IUPAC name is 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide.

Molecular Properties

Compound Name11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide
PubChem CID123504867
Molecular FormulaC38H30Cl2N4O2
Molecular Weight645.59 g/mol
Exact Mass644.17
IUPAC Name11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide
SMILESCC1CCC(Oc2ncccc2NC(=O)c2[nH]c3cc(Cl)cc4c3c2C2=C(c3ccccc3)C=C=CN2C4c2ccc(Cl)cc2)C1
InChIInChI=1S/C38H30Cl2N4O2/c1-22-11-16-27(19-22)46-38-30(10-5-17-41-38)43-37(45)34-33-32-29(20-26(40)21-31(32)42-34)35(24-12-14-25(39)15-13-24)44-18-6-9-28(36(33)44)23-7-3-2-4-8-23/h2-5,7-10,12-15,17-18,20-22,27,35,42H,11,16,19H2,1H3,(H,43,45)
InChIKeyZWBJKXJPNXOXKA-UHFFFAOYSA-N
XLogP9.65
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.59
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide?
The IUPAC name of 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide (CID 123504867) is 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide.
What is the SMILES notation for 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide?
The canonical SMILES for 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide is CC1CCC(Oc2ncccc2NC(=O)c2[nH]c3cc(Cl)cc4c3c2C2=C(c3ccccc3)C=C=CN2C4c2ccc(Cl)cc2)C1.
What is the InChIKey of 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide?
The InChIKey is ZWBJKXJPNXOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Cl2N4O2/c1-22-11-16-27(19-22)46-38-30(10-5-17-41-38)43-37(45)34-33-32-29(20-26(40)21-31(32)42-34)35(24-12-14-25(39)15-13-24)44-18-6-9-28(36(33)44)23-7-3-2-4-8-23/h2-5,7-10,12-15,17-18,20-22,27,35,42H,11,16,19H2,1H3,(H,43,45).
What are the key properties of 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide?
11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide has a molecular weight of 645.59 g/mol, XLogP of 9.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-8-(4-chlorophenyl)-N-[2-(3-methylcyclopentyl)oxy-3-pyridinyl]-3-phenyl-7,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,5,9(16),10,12-heptaene-15-carboxamide is sourced from PubChem (CID 123504867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).