N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

C23H25N7O2 — CID 59394094

IUPACN-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCCn1nc(NC(=O)n2ccc3cc(Oc4ccnc(CNC)n4)ccc32)cc1C1CC1
InChIInChI=1S/C23H25N7O2/c1-3-30-19(15-4-5-15)13-20(28-30)27-23(31)29-11-9-16-12-17(6-7-18(16)29)32-22-8-10-25-21(26-22)14-24-2/h6-13,15,24H,3-5,14H2,1-2H3,(H,27,28,31)
InChIKeyRDKXHLYHWUNHEG-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.12
Rot. Bonds7

About N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394094) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394094
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCCn1nc(NC(=O)n2ccc3cc(Oc4ccnc(CNC)n4)ccc32)cc1C1CC1
InChIInChI=1S/C23H25N7O2/c1-3-30-19(15-4-5-15)13-20(28-30)27-23(31)29-11-9-16-12-17(6-7-18(16)29)32-22-8-10-25-21(26-22)14-24-2/h6-13,15,24H,3-5,14H2,1-2H3,(H,27,28,31)
InChIKeyRDKXHLYHWUNHEG-UHFFFAOYSA-N
XLogP4.12
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[4-[1-[(5-cyclopropyl-1-ethylpyrazol-3-yl)carbamoyl]indol-5-yl]oxypyrimidin-2-yl]-2,2-dimethylpropyl]-methylcarbamic acid
CID 67430228
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394638
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate
CID 59394157
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]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
CID 129018205
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
CID 59394079
5-[2-[2-(propan-2-ylamino)ethyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394583
N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394662
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
CID 10073189
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394094) is N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is CCn1nc(NC(=O)n2ccc3cc(Oc4ccnc(CNC)n4)ccc32)cc1C1CC1.
What is the InChIKey of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is RDKXHLYHWUNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-3-30-19(15-4-5-15)13-20(28-30)27-23(31)29-11-9-16-12-17(6-7-18(16)29)32-22-8-10-25-21(26-22)14-24-2/h6-13,15,24H,3-5,14H2,1-2H3,(H,27,28,31).
What are the key properties of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-5-[2-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).