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

C20H22FN9O — CID 162653141

IUPAC5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(F)n4)n3)cc12
InChIInChI=1S/C20H22FN9O/c1-22-19(31)17-14-9-13(5-6-15(14)29(4)26-17)24-20-23-8-7-16(25-20)30-11-12(10-28(2)3)18(21)27-30/h5-9,11H,10H2,1-4H3,(H,22,31)(H,23,24,25)
InChIKeyUXDHJZXXNJZCJZ-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.85
Rot. Bonds6

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

5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (PubChem CID 162653141) has the molecular formula C20H22FN9O and a molecular weight of 423.46 g/mol. Its IUPAC name is 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
PubChem CID162653141
Molecular FormulaC20H22FN9O
Molecular Weight423.46 g/mol
Exact Mass423.19
IUPAC Name5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(F)n4)n3)cc12
InChIInChI=1S/C20H22FN9O/c1-22-19(31)17-14-9-13(5-6-15(14)29(4)26-17)24-20-23-8-7-16(25-20)30-11-12(10-28(2)3)18(21)27-30/h5-9,11H,10H2,1-4H3,(H,22,31)(H,23,24,25)
InChIKeyUXDHJZXXNJZCJZ-UHFFFAOYSA-N
XLogP1.85
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide (CID 162653141) is 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(F)n4)n3)cc12.
What is the InChIKey of 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
The InChIKey is UXDHJZXXNJZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN9O/c1-22-19(31)17-14-9-13(5-6-15(14)29(4)26-17)24-20-23-8-7-16(25-20)30-11-12(10-28(2)3)18(21)27-30/h5-9,11H,10H2,1-4H3,(H,22,31)(H,23,24,25).
What are the key properties of 5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide?
5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 1.85, 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]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 162653141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).