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

C24H27N7O2 — CID 118340720

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C(C)C)nn3C)c12
InChIInChI=1S/C24H27N7O2/c1-11(2)17-10-20(31(6)29-17)28-24-22-15-9-19(32-7)16(21-12(3)30-33-13(21)4)8-18(15)27-23(22)25-14(5)26-24/h8-11H,1-7H3,(H2,25,26,27,28)
InChIKeySWWMCNSCTBCHOC-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.30
Rot. Bonds5

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118340720) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-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-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID118340720
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C(C)C)nn3C)c12
InChIInChI=1S/C24H27N7O2/c1-11(2)17-10-20(31(6)29-17)28-24-22-15-9-19(32-7)16(21-12(3)30-33-13(21)4)8-18(15)27-23(22)25-14(5)26-24/h8-11H,1-7H3,(H2,25,26,27,28)
InChIKeySWWMCNSCTBCHOC-UHFFFAOYSA-N
XLogP5.30
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-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-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine (CID 118340720) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-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-(1-methyl-3-propan-2-ylpyrazol-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-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C(C)C)nn3C)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is SWWMCNSCTBCHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-11(2)17-10-20(31(6)29-17)28-24-22-15-9-19(32-7)16(21-12(3)30-33-13(21)4)8-18(15)27-23(22)25-14(5)26-24/h8-11H,1-7H3,(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-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 445.53 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 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-(1-methyl-3-propan-2-ylpyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118340720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).