4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine

C34H31N7O2 — CID 127030802

IUPAC4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3ccc(-n4cccn4)cn3)c(OCc3ccc(-n4cccn4)cn3)cc1-2
InChIInChI=1S/C34H31N7O2/c1-3-24-7-4-8-30-31-18-33(43-23-27-10-12-29(20-36-27)41-16-6-14-38-41)32(17-25(31)21-39(2)34(24)30)42-22-26-9-11-28(19-35-26)40-15-5-13-37-40/h4-20H,3,21-23H2,1-2H3
InChIKeyKEMHMJZYJHAZHB-UHFFFAOYSA-N
MW569.67 g/mol
LogP6.19
Rot. Bonds9

About 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine

4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine (PubChem CID 127030802) has the molecular formula C34H31N7O2 and a molecular weight of 569.67 g/mol. Its IUPAC name is 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine.

Molecular Properties

Compound Name4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine
PubChem CID127030802
Molecular FormulaC34H31N7O2
Molecular Weight569.67 g/mol
Exact Mass569.25
IUPAC Name4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3ccc(-n4cccn4)cn3)c(OCc3ccc(-n4cccn4)cn3)cc1-2
InChIInChI=1S/C34H31N7O2/c1-3-24-7-4-8-30-31-18-33(43-23-27-10-12-29(20-36-27)41-16-6-14-38-41)32(17-25(31)21-39(2)34(24)30)42-22-26-9-11-28(19-35-26)40-15-5-13-37-40/h4-20H,3,21-23H2,1-2H3
InChIKeyKEMHMJZYJHAZHB-UHFFFAOYSA-N
XLogP6.19
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine?
The IUPAC name of 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine (CID 127030802) is 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine.
What is the SMILES notation for 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine?
The canonical SMILES for 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine is CCc1cccc2c1N(C)Cc1cc(OCc3ccc(-n4cccn4)cn3)c(OCc3ccc(-n4cccn4)cn3)cc1-2.
What is the InChIKey of 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine?
The InChIKey is KEMHMJZYJHAZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N7O2/c1-3-24-7-4-8-30-31-18-33(43-23-27-10-12-29(20-36-27)41-16-6-14-38-41)32(17-25(31)21-39(2)34(24)30)42-22-26-9-11-28(19-35-26)40-15-5-13-37-40/h4-20H,3,21-23H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine?
4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine has a molecular weight of 569.67 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-8,9-bis[(5-pyrazol-1-yl-2-pyridinyl)methoxy]-6H-phenanthridine is sourced from PubChem (CID 127030802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).