[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate

C22H25N7O3 — CID 129018219

IUPAC[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
SMILESCC(C)c1cc(NC(=O)On2ccc3cc(Oc4cc(CN(C)C)ncn4)ccc32)n[nH]1
InChIInChI=1S/C22H25N7O3/c1-14(2)18-11-20(27-26-18)25-22(30)32-29-8-7-15-9-17(5-6-19(15)29)31-21-10-16(12-28(3)4)23-13-24-21/h5-11,13-14H,12H2,1-4H3,(H2,25,26,27,30)
InChIKeyTYBXLRHNCDEIFH-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.79
Rot. Bonds7

About [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate

[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate (PubChem CID 129018219) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
PubChem CID129018219
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
SMILESCC(C)c1cc(NC(=O)On2ccc3cc(Oc4cc(CN(C)C)ncn4)ccc32)n[nH]1
InChIInChI=1S/C22H25N7O3/c1-14(2)18-11-20(27-26-18)25-22(30)32-29-8-7-15-9-17(5-6-19(15)29)31-21-10-16(12-28(3)4)23-13-24-21/h5-11,13-14H,12H2,1-4H3,(H2,25,26,27,30)
InChIKeyTYBXLRHNCDEIFH-UHFFFAOYSA-N
XLogP3.79
TPSA110.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 129018228
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
CID 129018205
[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
CID 129018251
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
CID 129018224
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67538335
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide
CID 129044968
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
CID 59394126
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
CID 129045019
3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 71150271
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436

Frequently Asked Questions

What is the IUPAC name of [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate (CID 129018219) is [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate is CC(C)c1cc(NC(=O)On2ccc3cc(Oc4cc(CN(C)C)ncn4)ccc32)n[nH]1.
What is the InChIKey of [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
The InChIKey is TYBXLRHNCDEIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-14(2)18-11-20(27-26-18)25-22(30)32-29-8-7-15-9-17(5-6-19(15)29)31-21-10-16(12-28(3)4)23-13-24-21/h5-11,13-14H,12H2,1-4H3,(H2,25,26,27,30).
What are the key properties of [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate?
[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate has a molecular weight of 435.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 129018219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).