5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide

C22H20FN7O3S — CID 170346531

IUPAC5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1nc(-c2cc(F)ccc2NC2CS(=O)(=O)C2)nc(C(N)=O)c1N
InChIInChI=1S/C22H20FN7O3S/c1-10-2-4-16-14(7-26-30-16)17(10)19-18(24)20(21(25)31)29-22(28-19)13-6-11(23)3-5-15(13)27-12-8-34(32,33)9-12/h2-7,12,27H,8-9,24H2,1H3,(H2,25,31)(H,26,30)
InChIKeyMNFBVBDPAJYZOX-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.02
Rot. Bonds5

About 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide

5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 170346531) has the molecular formula C22H20FN7O3S and a molecular weight of 481.51 g/mol. Its IUPAC name is 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
PubChem CID170346531
Molecular FormulaC22H20FN7O3S
Molecular Weight481.51 g/mol
Exact Mass481.13
IUPAC Name5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1nc(-c2cc(F)ccc2NC2CS(=O)(=O)C2)nc(C(N)=O)c1N
InChIInChI=1S/C22H20FN7O3S/c1-10-2-4-16-14(7-26-30-16)17(10)19-18(24)20(21(25)31)29-22(28-19)13-6-11(23)3-5-15(13)27-12-8-34(32,33)9-12/h2-7,12,27H,8-9,24H2,1H3,(H2,25,31)(H,26,30)
InChIKeyMNFBVBDPAJYZOX-UHFFFAOYSA-N
XLogP2.02
TPSA169.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 177283645
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 177283695
5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide
CID 177283739
5-amino-2-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-3-fluoro-6-(5-methyl-1H-indazol-4-yl)pyridine-4-carboxamide
CID 170346548
3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 170346796
2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide
CID 176887235
3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283595
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 177283615

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide (CID 170346531) is 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide is Cc1ccc2[nH]ncc2c1-c1nc(-c2cc(F)ccc2NC2CS(=O)(=O)C2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is MNFBVBDPAJYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3S/c1-10-2-4-16-14(7-26-30-16)17(10)19-18(24)20(21(25)31)29-22(28-19)13-6-11(23)3-5-15(13)27-12-8-34(32,33)9-12/h2-7,12,27H,8-9,24H2,1H3,(H2,25,31)(H,26,30).
What are the key properties of 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide?
5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170346531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).