N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

C22H25N7O2 — CID 59394167

IUPACN-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccn(C(C)(C)C)n3)c2)ncn1
InChIInChI=1S/C22H25N7O2/c1-22(2,3)29-10-8-19(27-29)26-21(30)28-9-7-15-11-17(5-6-18(15)28)31-20-12-16(13-23-4)24-14-25-20/h5-12,14,23H,13H2,1-4H3,(H,26,27,30)
InChIKeyOTLHPXPVTBTRNZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.97
Rot. Bonds5

About N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394167) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394167
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccn(C(C)(C)C)n3)c2)ncn1
InChIInChI=1S/C22H25N7O2/c1-22(2,3)29-10-8-19(27-29)26-21(30)28-9-7-15-11-17(5-6-18(15)28)31-20-12-16(13-23-4)24-14-25-20/h5-12,14,23H,13H2,1-4H3,(H,26,27,30)
InChIKeyOTLHPXPVTBTRNZ-UHFFFAOYSA-N
XLogP3.97
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394167) is N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccn(C(C)(C)C)n3)c2)ncn1.
What is the InChIKey of N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is OTLHPXPVTBTRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-22(2,3)29-10-8-19(27-29)26-21(30)28-9-7-15-11-17(5-6-18(15)28)31-20-12-16(13-23-4)24-14-25-20/h5-12,14,23H,13H2,1-4H3,(H,26,27,30).
What are the key properties of N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).