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

C24H24N6O2 — CID 118340621

IUPACN-(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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Nc3cc(C4CC4)nn3C)c12
InChIInChI=1S/C24H24N6O2/c1-12-22(13(2)32-29-12)16-9-19-15(10-20(16)31-4)23-17(26-19)7-8-25-24(23)27-21-11-18(14-5-6-14)28-30(21)3/h7-11,14,26H,5-6H2,1-4H3,(H,25,27)
InChIKeyZPDONCUXOHIHPV-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.35
Rot. Bonds5

About 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

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 (PubChem CID 118340621) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID118340621
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-(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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Nc3cc(C4CC4)nn3C)c12
InChIInChI=1S/C24H24N6O2/c1-12-22(13(2)32-29-12)16-9-19-15(10-20(16)31-4)23-17(26-19)7-8-25-24(23)27-21-11-18(14-5-6-14)28-30(21)3/h7-11,14,26H,5-6H2,1-4H3,(H,25,27)
InChIKeyZPDONCUXOHIHPV-UHFFFAOYSA-N
XLogP5.35
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine
CID 159248861
4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane
CID 160854452
3-cyclopropyl-5-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]amino]pyrazole-1-carboxylic acid
CID 146190548
N-(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-(methoxymethyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 122508091
N-(3-cyclopropyl-1-ethylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-(methoxymethyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 122508095
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carbaldehyde
CID 145384626
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
N-(3-tert-butyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340796
1-[3-[3-cyclopropyl-5-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone
CID 118340570
(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
N-[3-cyclopropyl-1-(1-ethylpiperidin-4-yl)pyrazol-5-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethyl-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine
CID 130266147

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Nc3cc(C4CC4)nn3C)c12.
What is the InChIKey of 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?
The InChIKey is ZPDONCUXOHIHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-12-22(13(2)32-29-12)16-9-19-15(10-20(16)31-4)23-17(26-19)7-8-25-24(23)27-21-11-18(14-5-6-14)28-30(21)3/h7-11,14,26H,5-6H2,1-4H3,(H,25,27).
What are the key properties of 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?
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 has a molecular weight of 428.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118340621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).