7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine

C25H22N6O2 — CID 118340779

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Nc3nn(C)c4ccccc34)c12
InChIInChI=1S/C25H22N6O2/c1-13-22(14(2)33-30-13)17-11-19-16(12-21(17)32-4)23-18(27-19)9-10-26-25(23)28-24-15-7-5-6-8-20(15)31(3)29-24/h5-12,27H,1-4H3,(H,26,28,29)
InChIKeyGMXDPYQBXKUYAM-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.63
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine (PubChem CID 118340779) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine
PubChem CID118340779
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Nc3nn(C)c4ccccc34)c12
InChIInChI=1S/C25H22N6O2/c1-13-22(14(2)33-30-13)17-11-19-16(12-21(17)32-4)23-18(27-19)9-10-26-25(23)28-24-15-7-5-6-8-20(15)31(3)29-24/h5-12,27H,1-4H3,(H,26,28,29)
InChIKeyGMXDPYQBXKUYAM-UHFFFAOYSA-N
XLogP5.63
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-1-amine
CID 118340621
4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323024
4-[1-(2-ethylphenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 123920149
4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388486
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395649
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340691
4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158362106
(E)-1-N-cyclopentyl-1-N'-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-1-yl]but-1-ene-1,1,3-triamine
CID 146202010
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-methyl-5-phenyl-1,2-oxazole
CID 90395758
4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 129212418
4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395619
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylimidazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340696

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine (CID 118340779) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Nc3nn(C)c4ccccc34)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine?
The InChIKey is GMXDPYQBXKUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-13-22(14(2)33-30-13)17-11-19-16(12-21(17)32-4)23-18(27-19)9-10-26-25(23)28-24-15-7-5-6-8-20(15)31(3)29-24/h5-12,27H,1-4H3,(H,26,28,29).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine has a molecular weight of 438.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine is sourced from PubChem (CID 118340779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).