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

C23H22N6O2 — CID 129214093

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N[C@H](C)c3ccccn3)c12
InChIInChI=1S/C23H22N6O2/c1-12(17-7-5-6-8-24-17)27-22-21-15-10-19(30-4)16(20-13(2)29-31-14(20)3)9-18(15)28-23(21)26-11-25-22/h5-12H,1-4H3,(H2,25,26,27,28)/t12-/m1/s1
InChIKeyUJQGMCKJOYFQAO-GFCCVEGCSA-N
MW414.47 g/mol
LogP4.96
Rot. Bonds5

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 129214093) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID129214093
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N[C@H](C)c3ccccn3)c12
InChIInChI=1S/C23H22N6O2/c1-12(17-7-5-6-8-24-17)27-22-21-15-10-19(30-4)16(20-13(2)29-31-14(20)3)9-18(15)28-23(21)26-11-25-22/h5-12H,1-4H3,(H2,25,26,27,28)/t12-/m1/s1
InChIKeyUJQGMCKJOYFQAO-GFCCVEGCSA-N
XLogP4.96
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine (CID 129214093) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-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-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N[C@H](C)c3ccccn3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is UJQGMCKJOYFQAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-12(17-7-5-6-8-24-17)27-22-21-15-10-19(30-4)16(20-13(2)29-31-14(20)3)9-18(15)28-23(21)26-11-25-22/h5-12H,1-4H3,(H2,25,26,27,28)/t12-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 414.47 g/mol, XLogP of 4.96, 5 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)-6-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 129214093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).