[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate

C24H25N7O3 — CID 129018205

IUPAC[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
SMILESCNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C4CC4)n(C4CC4)n3)c2)ncn1
InChIInChI=1S/C24H25N7O3/c1-25-13-17-11-23(27-14-26-17)33-19-6-7-20-16(10-19)8-9-30(20)34-24(32)28-22-12-21(15-2-3-15)31(29-22)18-4-5-18/h6-12,14-15,18,25H,2-5,13H2,1H3,(H,28,29,32)
InChIKeyZOIBLYWWBMDZOD-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.01
Rot. Bonds8

About [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate

[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate (PubChem CID 129018205) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
PubChem CID129018205
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
SMILESCNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C4CC4)n(C4CC4)n3)c2)ncn1
InChIInChI=1S/C24H25N7O3/c1-25-13-17-11-23(27-14-26-17)33-19-6-7-20-16(10-19)8-9-30(20)34-24(32)28-22-12-21(15-2-3-15)31(29-22)18-4-5-18/h6-12,14-15,18,25H,2-5,13H2,1H3,(H,28,29,32)
InChIKeyZOIBLYWWBMDZOD-UHFFFAOYSA-N
XLogP4.01
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate
CID 129018180
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
CID 129018224
[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
CID 129018251
[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
CID 129018219
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
CID 59394126
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
CID 59394079
N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394094
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
CID 129045019
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 129018228

Frequently Asked Questions

What is the IUPAC name of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate?
The IUPAC name of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate (CID 129018205) is [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate.
What is the SMILES notation for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate?
The canonical SMILES for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate is CNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C4CC4)n(C4CC4)n3)c2)ncn1.
What is the InChIKey of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate?
The InChIKey is ZOIBLYWWBMDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-25-13-17-11-23(27-14-26-17)33-19-6-7-20-16(10-19)8-9-30(20)34-24(32)28-22-12-21(15-2-3-15)31(29-22)18-4-5-18/h6-12,14-15,18,25H,2-5,13H2,1H3,(H,28,29,32).
What are the key properties of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate?
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate has a molecular weight of 459.51 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate is sourced from PubChem (CID 129018205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).