5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide

C22H27N9O — CID 162670318

IUPAC5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12
InChIInChI=1S/C22H27N9O/c1-13-9-14(10-16-19(21(32)23-2)28-31(6)20(13)16)25-22-24-8-7-17(26-22)18-11-15(12-29(3)4)30(5)27-18/h7-11H,12H2,1-6H3,(H,23,32)(H,24,25,26)
InChIKeyMXMXGPIDCZRPRS-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.24
Rot. Bonds6

About 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide

5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide (PubChem CID 162670318) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
PubChem CID162670318
Molecular FormulaC22H27N9O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12
InChIInChI=1S/C22H27N9O/c1-13-9-14(10-16-19(21(32)23-2)28-31(6)20(13)16)25-22-24-8-7-17(26-22)18-11-15(12-29(3)4)30(5)27-18/h7-11H,12H2,1-6H3,(H,23,32)(H,24,25,26)
InChIKeyMXMXGPIDCZRPRS-UHFFFAOYSA-N
XLogP2.24
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide (CID 162670318) is 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12.
What is the InChIKey of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
The InChIKey is MXMXGPIDCZRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O/c1-13-9-14(10-16-19(21(32)23-2)28-31(6)20(13)16)25-22-24-8-7-17(26-22)18-11-15(12-29(3)4)30(5)27-18/h7-11H,12H2,1-6H3,(H,23,32)(H,24,25,26).
What are the key properties of 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide is sourced from PubChem (CID 162670318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).