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

C21H25N9O — CID 162673142

IUPAC5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide
SMILESCN(C)Cc1cnn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)N(C)C)nn4C)n2)c1
InChIInChI=1S/C21H25N9O/c1-27(2)12-14-11-23-30(13-14)18-8-9-22-21(25-18)24-15-6-7-17-16(10-15)19(26-29(17)5)20(31)28(3)4/h6-11,13H,12H2,1-5H3,(H,22,24,25)
InChIKeyNLFOKTFUTVBWAV-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.06
Rot. Bonds6

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

5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide (PubChem CID 162673142) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide
PubChem CID162673142
Molecular FormulaC21H25N9O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide
SMILESCN(C)Cc1cnn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)N(C)C)nn4C)n2)c1
InChIInChI=1S/C21H25N9O/c1-27(2)12-14-11-23-30(13-14)18-8-9-22-21(25-18)24-15-6-7-17-16(10-15)19(26-29(17)5)20(31)28(3)4/h6-11,13H,12H2,1-5H3,(H,22,24,25)
InChIKeyNLFOKTFUTVBWAV-UHFFFAOYSA-N
XLogP2.06
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide (CID 162673142) is 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide is CN(C)Cc1cnn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)N(C)C)nn4C)n2)c1.
What is the InChIKey of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide?
The InChIKey is NLFOKTFUTVBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c1-27(2)12-14-11-23-30(13-14)18-8-9-22-21(25-18)24-15-6-7-17-16(10-15)19(26-29(17)5)20(31)28(3)4/h6-11,13H,12H2,1-5H3,(H,22,24,25).
What are the key properties of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide?
5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,N,1-trimethylindazole-3-carboxamide is sourced from PubChem (CID 162673142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).