N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide

C26H28N8O — CID 163288434

IUPACN-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide
SMILES[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(C)=O)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21
InChIInChI=1S/C26H28N8O/c1-17(35)29-23-14-19(13-18-15-28-34(25(18)23)12-11-32(2)3)30-26-27-10-9-22(31-26)21-16-33(4)24-8-6-5-7-20(21)24/h5-10,13-16H,11-12H2,1-4H3,(H,29,35)(H,27,30,31)/i4D3
InChIKeySLPMIRVGWPEGIJ-GKOSEXJESA-N
MW471.58 g/mol
LogP4.25
Rot. Bonds8

About N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide

N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide (PubChem CID 163288434) has the molecular formula C26H28N8O and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide
PubChem CID163288434
Molecular FormulaC26H28N8O
Molecular Weight471.58 g/mol
Exact Mass471.26
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide
SMILES[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(C)=O)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21
InChIInChI=1S/C26H28N8O/c1-17(35)29-23-14-19(13-18-15-28-34(25(18)23)12-11-32(2)3)30-26-27-10-9-22(31-26)21-16-33(4)24-8-6-5-7-20(21)24/h5-10,13-16H,11-12H2,1-4H3,(H,29,35)(H,27,30,31)/i4D3
InChIKeySLPMIRVGWPEGIJ-GKOSEXJESA-N
XLogP4.25
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]indazol-7-yl]-3-methylbut-2-enamide
CID 163288421
7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine
CID 163288445
N-[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]prop-2-enamide
CID 118578885
5-bromo-1-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 165389266
1-[2-(diethylamino)ethyl]-N-[4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-yl]indazol-5-amine
CID 170239773
N-[2-[2-(dimethylamino)ethoxy]-4-ethoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 121404184
N-[5-[[4,5-dimethoxy-6-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-3-fluorophenyl]acetamide
CID 166477472
CID 145016786
CID 145016786
4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175832958
3-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]anilino]-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
CID 169437941
1-N-[2,2-dideuterio-2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 141486871
N-[2-[2-(dimethylamino)ethyl-nitrosoamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 175665475

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide (CID 163288434) is N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide is [2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(C)=O)c4c(cnn4CCN(C)C)c3)n2)c2ccccc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide?
The InChIKey is SLPMIRVGWPEGIJ-GKOSEXJESA-N. The full InChI is InChI=1S/C26H28N8O/c1-17(35)29-23-14-19(13-18-15-28-34(25(18)23)12-11-32(2)3)30-26-27-10-9-22(31-26)21-16-33(4)24-8-6-5-7-20(21)24/h5-10,13-16H,11-12H2,1-4H3,(H,29,35)(H,27,30,31)/i4D3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide?
N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide has a molecular weight of 471.58 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide is sourced from PubChem (CID 163288434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).