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

C21H25N9O — CID 162659876

IUPAC5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12
InChIInChI=1S/C21H25N9O/c1-13-8-15(9-16-18(20(31)22-2)27-29(5)19(13)16)25-21-23-7-6-17(26-21)30-12-14(10-24-30)11-28(3)4/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,25,26)
InChIKeyIQOIYVOYKZHJJH-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.02
Rot. Bonds6

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

5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide (PubChem CID 162659876) 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,1,7-trimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
PubChem CID162659876
Molecular FormulaC21H25N9O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12
InChIInChI=1S/C21H25N9O/c1-13-8-15(9-16-18(20(31)22-2)27-29(5)19(13)16)25-21-23-7-6-17(26-21)30-12-14(10-24-30)11-28(3)4/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,25,26)
InChIKeyIQOIYVOYKZHJJH-UHFFFAOYSA-N
XLogP2.02
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide (CID 162659876) is 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12.
What is the InChIKey of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
The InChIKey is IQOIYVOYKZHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c1-13-8-15(9-16-18(20(31)22-2)27-29(5)19(13)16)25-21-23-7-6-17(26-21)30-12-14(10-24-30)11-28(3)4/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,25,26).
What are the key properties of 5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide?
5-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1,7-trimethylindazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 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,1,7-trimethylindazole-3-carboxamide is sourced from PubChem (CID 162659876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).