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

C24H19N5O2 — CID 90395618

IUPAC4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cnn4ccccc34)c12
InChIInChI=1S/C24H19N5O2/c1-13-22(14(2)31-28-13)16-10-19-15(11-21(16)30-3)23-18(27-19)7-8-25-24(23)17-12-26-29-9-5-4-6-20(17)29/h4-12,27H,1-3H3
InChIKeyBADCBXSBNDGBJM-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.31
Rot. Bonds3

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

4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90395618) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90395618
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cnn4ccccc34)c12
InChIInChI=1S/C24H19N5O2/c1-13-22(14(2)31-28-13)16-10-19-15(11-21(16)30-3)23-18(27-19)7-8-25-24(23)17-12-26-29-9-5-4-6-20(17)29/h4-12,27H,1-3H3
InChIKeyBADCBXSBNDGBJM-UHFFFAOYSA-N
XLogP5.31
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 90395618) is 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-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-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cnn4ccccc34)c12.
What is the InChIKey of 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is BADCBXSBNDGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-13-22(14(2)31-28-13)16-10-19-15(11-21(16)30-3)23-18(27-19)7-8-25-24(23)17-12-26-29-9-5-4-6-20(17)29/h4-12,27H,1-3H3.
What are the key properties of 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 409.45 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90395618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).