5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide

C21H22N6O3 — CID 59394319

IUPAC5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)C)on3)c2)ncn1
InChIInChI=1S/C21H22N6O3/c1-13(2)18-10-19(26-30-18)25-21(28)27-7-6-14-8-16(4-5-17(14)27)29-20-9-15(11-22-3)23-12-24-20/h4-10,12-13,22H,11H2,1-3H3,(H,25,26,28)
InChIKeyJGQCTOQSKJYTIU-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.13
Rot. Bonds6

About 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide (PubChem CID 59394319) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide
PubChem CID59394319
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)C)on3)c2)ncn1
InChIInChI=1S/C21H22N6O3/c1-13(2)18-10-19(26-30-18)25-21(28)27-7-6-14-8-16(4-5-17(14)27)29-20-9-15(11-22-3)23-12-24-20/h4-10,12-13,22H,11H2,1-3H3,(H,25,26,28)
InChIKeyJGQCTOQSKJYTIU-UHFFFAOYSA-N
XLogP4.13
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 59394698
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
1-(3-{[2-(4-Amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)ethanone
CID 11772907
N-(4-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)acetamide
CID 16099858
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394364
CID 59394373
CID 59394373
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamide
CID 59394429

Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
The IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide (CID 59394319) is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide.
What is the SMILES notation for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
The canonical SMILES for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)C)on3)c2)ncn1.
What is the InChIKey of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
The InChIKey is JGQCTOQSKJYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-13(2)18-10-19(26-30-18)25-21(28)27-7-6-14-8-16(4-5-17(14)27)29-20-9-15(11-22-3)23-12-24-20/h4-10,12-13,22H,11H2,1-3H3,(H,25,26,28).
What are the key properties of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide is sourced from PubChem (CID 59394319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).