2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide

C19H20BrN7O2 — CID 177381927

IUPAC2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide
SMILESCC(C(=O)N1CCN(c2ncc(Br)cn2)CC1)n1cc2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H20BrN7O2/c1-12(27-11-13-3-2-4-15(17(21)28)16(13)24-27)18(29)25-5-7-26(8-6-25)19-22-9-14(20)10-23-19/h2-4,9-12H,5-8H2,1H3,(H2,21,28)
InChIKeyNATLRWIJGNYJCQ-UHFFFAOYSA-N
MW458.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide

2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide (PubChem CID 177381927) has the molecular formula C19H20BrN7O2 and a molecular weight of 458.32 g/mol. Its IUPAC name is 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide
PubChem CID177381927
Molecular FormulaC19H20BrN7O2
Molecular Weight458.32 g/mol
Exact Mass457.09
IUPAC Name2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide
SMILESCC(C(=O)N1CCN(c2ncc(Br)cn2)CC1)n1cc2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H20BrN7O2/c1-12(27-11-13-3-2-4-15(17(21)28)16(13)24-27)18(29)25-5-7-26(8-6-25)19-22-9-14(20)10-23-19/h2-4,9-12H,5-8H2,1H3,(H2,21,28)
InChIKeyNATLRWIJGNYJCQ-UHFFFAOYSA-N
XLogP1.60
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 71716706
3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 10112596
1-(4-benzoylpiperazin-1-yl)-2-[4-(4-methylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25027075
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 46231352
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide
CID 66720314
[1-[(4-Fluorophenyl)methyl]indazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 168283659
3-[2-(cyclopropylamino)pyrimidin-4-yl]-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 11619667
N-(2-(diethylamino)ethyl)-3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-ylamino)benzamide
CID 44580861
9-amino-2-cyclobutyl-5-pyrimidin-5-yl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 50915193
3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 71462673
1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]indole-5-carboxamide
CID 145950319
1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]-N-methylindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide?
The IUPAC name of 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide (CID 177381927) is 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide.
What is the SMILES notation for 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide?
The canonical SMILES for 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide is CC(C(=O)N1CCN(c2ncc(Br)cn2)CC1)n1cc2cccc(C(N)=O)c2n1.
What is the InChIKey of 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide?
The InChIKey is NATLRWIJGNYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN7O2/c1-12(27-11-13-3-2-4-15(17(21)28)16(13)24-27)18(29)25-5-7-26(8-6-25)19-22-9-14(20)10-23-19/h2-4,9-12H,5-8H2,1H3,(H2,21,28).
What are the key properties of 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide?
2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide has a molecular weight of 458.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]indazole-7-carboxamide is sourced from PubChem (CID 177381927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).