2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

C16H15N5O3 — CID 126623337

IUPAC2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
SMILESCNC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C16H15N5O3/c1-9-18-6-11(7-19-9)10-3-4-13-12(5-10)15(16(24)17-2)20-21(13)8-14(22)23/h3-7H,8H2,1-2H3,(H,17,24)(H,22,23)
InChIKeyCFAJIUUJHOTPQD-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.25
Rot. Bonds4

About 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid (PubChem CID 126623337) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
PubChem CID126623337
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
SMILESCNC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C16H15N5O3/c1-9-18-6-11(7-19-9)10-3-4-13-12(5-10)15(16(24)17-2)20-21(13)8-14(22)23/h3-7H,8H2,1-2H3,(H,17,24)(H,22,23)
InChIKeyCFAJIUUJHOTPQD-UHFFFAOYSA-N
XLogP1.25
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-oxo-N-pyrimidin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143519
5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
CID 162659876
5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
CID 162670318
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1397035
N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1400841
(2S)-2-(benzylsulfamoylamino)-3-[[1-[3-(pyridin-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoic acid
CID 11800819
2-Isobutoxycarbonylamino-3-({1-[3-(pyridin-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-propionic acid
CID 18660413
US10138212, Example 62
CID 122445016
5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-N-propan-2-yl-1H-indazole-3-carboxamide
CID 162660129
3-({4-[(1,5-dimethyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138048
1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165414907

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid (CID 126623337) is 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid is CNC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12.
What is the InChIKey of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
The InChIKey is CFAJIUUJHOTPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-18-6-11(7-19-9)10-3-4-13-12(5-10)15(16(24)17-2)20-21(13)8-14(22)23/h3-7H,8H2,1-2H3,(H,17,24)(H,22,23).
What are the key properties of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid has a molecular weight of 325.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 126623337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).