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

C24H26N6O3 — CID 118340790

IUPACN-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3oc(C)nc3C(C)C)c12
InChIInChI=1S/C24H26N6O3/c1-10(2)21-24(32-14(6)27-21)29-23-20-15-9-18(31-7)16(19-11(3)30-33-12(19)4)8-17(15)28-22(20)25-13(5)26-23/h8-10H,1-7H3,(H2,25,26,28,29)
InChIKeyJMASIHQUNYIWOF-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.86
Rot. Bonds5

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

N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine (PubChem CID 118340790) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine
PubChem CID118340790
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3oc(C)nc3C(C)C)c12
InChIInChI=1S/C24H26N6O3/c1-10(2)21-24(32-14(6)27-21)29-23-20-15-9-18(31-7)16(19-11(3)30-33-12(19)4)8-17(15)28-22(20)25-13(5)26-23/h8-10H,1-7H3,(H2,25,26,28,29)
InChIKeyJMASIHQUNYIWOF-UHFFFAOYSA-N
XLogP5.86
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine?
The IUPAC name of N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine (CID 118340790) is N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3oc(C)nc3C(C)C)c12.
What is the InChIKey of N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine?
The InChIKey is JMASIHQUNYIWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-10(2)21-24(32-14(6)27-21)29-23-20-15-9-18(31-7)16(19-11(3)30-33-12(19)4)8-17(15)28-22(20)25-13(5)26-23/h8-10H,1-7H3,(H2,25,26,28,29).
What are the key properties of N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine?
N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine has a molecular weight of 446.51 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 118340790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).