3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid

C24H27N7O4 — CID 71150271

IUPAC3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
SMILESCC(C)c1c(-c2cn(C(=O)O)c3ccc(Oc4cc(CCN(C)C)ncn4)cc23)cnn1C(N)=O
InChIInChI=1S/C24H27N7O4/c1-14(2)22-18(11-28-31(22)23(25)32)19-12-30(24(33)34)20-6-5-16(10-17(19)20)35-21-9-15(26-13-27-21)7-8-29(3)4/h5-6,9-14H,7-8H2,1-4H3,(H2,25,32)(H,33,34)
InChIKeyZBFXCLDTUIBCDC-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.77
Rot. Bonds7

About 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid

3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid (PubChem CID 71150271) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
PubChem CID71150271
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
SMILESCC(C)c1c(-c2cn(C(=O)O)c3ccc(Oc4cc(CCN(C)C)ncn4)cc23)cnn1C(N)=O
InChIInChI=1S/C24H27N7O4/c1-14(2)22-18(11-28-31(22)23(25)32)19-12-30(24(33)34)20-6-5-16(10-17(19)20)35-21-9-15(26-13-27-21)7-8-29(3)4/h5-6,9-14H,7-8H2,1-4H3,(H2,25,32)(H,33,34)
InChIKeyZBFXCLDTUIBCDC-UHFFFAOYSA-N
XLogP3.77
TPSA141.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Acrizanib
CID 59394698
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 56970264
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394091
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394364
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamide
CID 59394429
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 56970466
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394395
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394622
N-(5-propan-2-yl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394643

Frequently Asked Questions

What is the IUPAC name of 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The IUPAC name of 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid (CID 71150271) is 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid.
What is the SMILES notation for 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The canonical SMILES for 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid is CC(C)c1c(-c2cn(C(=O)O)c3ccc(Oc4cc(CCN(C)C)ncn4)cc23)cnn1C(N)=O.
What is the InChIKey of 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The InChIKey is ZBFXCLDTUIBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-14(2)22-18(11-28-31(22)23(25)32)19-12-30(24(33)34)20-6-5-16(10-17(19)20)35-21-9-15(26-13-27-21)7-8-29(3)4/h5-6,9-14H,7-8H2,1-4H3,(H2,25,32)(H,33,34).
What are the key properties of 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid has a molecular weight of 477.53 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-carbamoyl-5-propan-2-ylpyrazol-4-yl)-5-[6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid is sourced from PubChem (CID 71150271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).