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

C23H23N5O2 — CID 78323350

IUPAC4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C(C)C)c12
InChIInChI=1S/C23H23N5O2/c1-11(2)22-16(10-25-27-22)23-21-14-9-19(29-5)15(20-12(3)28-30-13(20)4)8-18(14)26-17(21)6-7-24-23/h6-11,26H,1-5H3,(H,25,27)
InChIKeyHAGHIEXQJHGTJU-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.51
Rot. Bonds4

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

4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 78323350) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID78323350
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C(C)C)c12
InChIInChI=1S/C23H23N5O2/c1-11(2)22-16(10-25-27-22)23-21-14-9-19(29-5)15(20-12(3)28-30-13(20)4)8-18(14)26-17(21)6-7-24-23/h6-11,26H,1-5H3,(H,25,27)
InChIKeyHAGHIEXQJHGTJU-UHFFFAOYSA-N
XLogP5.51
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 78323350) is 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C(C)C)c12.
What is the InChIKey of 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HAGHIEXQJHGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-11(2)22-16(10-25-27-22)23-21-14-9-19(29-5)15(20-12(3)28-30-13(20)4)8-18(14)26-17(21)6-7-24-23/h6-11,26H,1-5H3,(H,25,27).
What are the key properties of 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 401.47 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 78323350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).