7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine

C23H27N7O2 — CID 146201922

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NC3=C(C(C)C)CNN3)c12
InChIInChI=1S/C23H27N7O2/c1-10(2)16-9-24-29-21(16)28-23-20-14-8-18(31-6)15(19-11(3)30-32-12(19)4)7-17(14)27-22(20)25-13(5)26-23/h7-8,10,24,29H,9H2,1-6H3,(H2,25,26,27,28)
InChIKeySUCASBRMZGRYBP-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.09
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 146201922) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID146201922
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NC3=C(C(C)C)CNN3)c12
InChIInChI=1S/C23H27N7O2/c1-10(2)16-9-24-29-21(16)28-23-20-14-8-18(31-6)15(19-11(3)30-32-12(19)4)7-17(14)27-22(20)25-13(5)26-23/h7-8,10,24,29H,9H2,1-6H3,(H2,25,26,27,28)
InChIKeySUCASBRMZGRYBP-UHFFFAOYSA-N
XLogP4.09
TPSA112.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine with MolForge

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(5-methyl-1-propan-2-ylimidazol-2-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340549
N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-3,4-dimethyl-1,2-oxazol-5-amine
CID 118340713
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340744
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
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340566
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-chloro-5-fluorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340881
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
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(fluoromethyl)-1-propan-2-ylpyrazol-5-yl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118347560
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
N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane
CID 144912848

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine (CID 146201922) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NC3=C(C(C)C)CNN3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is SUCASBRMZGRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-10(2)16-9-24-29-21(16)28-23-20-14-8-18(31-6)15(19-11(3)30-32-12(19)4)7-17(14)27-22(20)25-13(5)26-23/h7-8,10,24,29H,9H2,1-6H3,(H2,25,26,27,28).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 433.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 146201922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).