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

C22H22N6O3 — CID 59394220

IUPAC5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)on3)c2)ncn1
InChIInChI=1S/C22H22N6O3/c1-22(6-7-22)18-11-19(27-31-18)26-21(29)28-8-5-14-9-16(3-4-17(14)28)30-20-10-15(12-23-2)24-13-25-20/h3-5,8-11,13,23H,6-7,12H2,1-2H3,(H,26,27,29)
InChIKeyAQICPDDTSXPRAQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.06
Rot. Bonds6

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

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide (PubChem CID 59394220) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide
PubChem CID59394220
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)on3)c2)ncn1
InChIInChI=1S/C22H22N6O3/c1-22(6-7-22)18-11-19(27-31-18)26-21(29)28-8-5-14-9-16(3-4-17(14)28)30-20-10-15(12-23-2)24-13-25-20/h3-5,8-11,13,23H,6-7,12H2,1-2H3,(H,26,27,29)
InChIKeyAQICPDDTSXPRAQ-UHFFFAOYSA-N
XLogP4.06
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide (CID 59394220) is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)on3)c2)ncn1.
What is the InChIKey of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide?
The InChIKey is AQICPDDTSXPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-22(6-7-22)18-11-19(27-31-18)26-21(29)28-8-5-14-9-16(3-4-17(14)28)30-20-10-15(12-23-2)24-13-25-20/h3-5,8-11,13,23H,6-7,12H2,1-2H3,(H,26,27,29).
What are the key properties of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide?
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.06, 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-(1-methylcyclopropyl)-1,2-oxazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 59394220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).