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

C21H25N9O2 — CID 162653560

IUPAC5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(OC)n4)n3)cc12
InChIInChI=1S/C21H25N9O2/c1-22-19(31)18-15-10-14(6-7-16(15)29(4)26-18)24-21-23-9-8-17(25-21)30-12-13(11-28(2)3)20(27-30)32-5/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,24,25)
InChIKeyCQUMFBGPIRJTMM-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.72
Rot. Bonds7

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

5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (PubChem CID 162653560) has the molecular formula C21H25N9O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
PubChem CID162653560
Molecular FormulaC21H25N9O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(OC)n4)n3)cc12
InChIInChI=1S/C21H25N9O2/c1-22-19(31)18-15-10-14(6-7-16(15)29(4)26-18)24-21-23-9-8-17(25-21)30-12-13(11-28(2)3)20(27-30)32-5/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,24,25)
InChIKeyCQUMFBGPIRJTMM-UHFFFAOYSA-N
XLogP1.72
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (CID 162653560) is 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(OC)n4)n3)cc12.
What is the InChIKey of 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The InChIKey is CQUMFBGPIRJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O2/c1-22-19(31)18-15-10-14(6-7-16(15)29(4)26-18)24-21-23-9-8-17(25-21)30-12-13(11-28(2)3)20(27-30)32-5/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,24,25).
What are the key properties of 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[(dimethylamino)methyl]-3-methoxypyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 162653560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).