4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C25H25N5O2 — CID 90395668

IUPAC4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C4CC4)nn(C)c3C)c12
InChIInChI=1S/C25H25N5O2/c1-12-21(14(3)32-29-12)17-10-19-16(11-20(17)31-5)23-18(27-19)8-9-26-25(23)22-13(2)30(4)28-24(22)15-6-7-15/h8-11,15,27H,6-7H2,1-5H3
InChIKeyNHTNQNULDWUSES-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.58
Rot. Bonds4

About 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90395668) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90395668
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C4CC4)nn(C)c3C)c12
InChIInChI=1S/C25H25N5O2/c1-12-21(14(3)32-29-12)17-10-19-16(11-20(17)31-5)23-18(27-19)8-9-26-25(23)22-13(2)30(4)28-24(22)15-6-7-15/h8-11,15,27H,6-7H2,1-5H3
InChIKeyNHTNQNULDWUSES-UHFFFAOYSA-N
XLogP5.58
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 90395668) is 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C4CC4)nn(C)c3C)c12.
What is the InChIKey of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NHTNQNULDWUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-12-21(14(3)32-29-12)17-10-19-16(11-20(17)31-5)23-18(27-19)8-9-26-25(23)22-13(2)30(4)28-24(22)15-6-7-15/h8-11,15,27H,6-7H2,1-5H3.
What are the key properties of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 427.51 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90395668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).