3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C25H31N7O2 — CID 144912854

IUPAC3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1nn(C)c(CC)c1N.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)ncc12
InChIInChI=1S/C17H16N4O2.C8H15N3/c1-8-16(9(2)23-21-8)12-5-14-11(6-15(12)22-4)13-7-18-10(3)19-17(13)20-14;1-4-6-8(9)7(5-2)11(3)10-6/h5-7H,1-4H3,(H,18,19,20);4-5,9H2,1-3H3
InChIKeyBKGFHHCLDTYORE-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.83
Rot. Bonds4

About 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 144912854) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID144912854
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1nn(C)c(CC)c1N.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)ncc12
InChIInChI=1S/C17H16N4O2.C8H15N3/c1-8-16(9(2)23-21-8)12-5-14-11(6-15(12)22-4)13-7-18-10(3)19-17(13)20-14;1-4-6-8(9)7(5-2)11(3)10-6/h5-7H,1-4H3,(H,18,19,20);4-5,9H2,1-3H3
InChIKeyBKGFHHCLDTYORE-UHFFFAOYSA-N
XLogP4.83
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-diethyl-1-methylpyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340733
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340608
4-[4-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 160962540
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
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
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
4-[4-[(1-ethyl-3-propan-2-ylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158061373
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine
CID 160701706
4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 118340553
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340883
4-[4-[(2-tert-butylpyrazol-3-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 152950941
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;2,3-dimethylimidazol-4-amine;4-[4-[(2,3-dimethylimidazol-4-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 161264843

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 144912854) is 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is CCc1nn(C)c(CC)c1N.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)ncc12.
What is the InChIKey of 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is BKGFHHCLDTYORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.C8H15N3/c1-8-16(9(2)23-21-8)12-5-14-11(6-15(12)22-4)13-7-18-10(3)19-17(13)20-14;1-4-6-8(9)7(5-2)11(3)10-6/h5-7H,1-4H3,(H,18,19,20);4-5,9H2,1-3H3.
What are the key properties of 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 461.57 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-methylpyrazol-4-amine;4-(6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 144912854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).