5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide

C20H23N5O3S — CID 71766663

IUPAC5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(C)cn1
InChIInChI=1S/C20H23N5O3S/c1-12-5-8-18(22-11-12)25-19(20(26)21-2)15-9-14(13-6-7-13)17(10-16(15)23-25)24(3)29(4,27)28/h5,8-11,13H,6-7H2,1-4H3,(H,21,26)
InChIKeyKRQNCXXLYDWOHG-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.36
Rot. Bonds5

About 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide

5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide (PubChem CID 71766663) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
PubChem CID71766663
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(C)cn1
InChIInChI=1S/C20H23N5O3S/c1-12-5-8-18(22-11-12)25-19(20(26)21-2)15-9-14(13-6-7-13)17(10-16(15)23-25)24(3)29(4,27)28/h5,8-11,13H,6-7H2,1-4H3,(H,21,26)
InChIKeyKRQNCXXLYDWOHG-UHFFFAOYSA-N
XLogP2.36
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
CID 71766662
2-(5-chloro-2-pyridinyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 71760906
5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide
CID 123169567
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 71768584
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
5-cyclopropyl-2-[4-(3-hydroxyanilino)phenyl]-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 67512363
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(3-methoxypropanoylamino)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 69250184
tert-butyl 3-[2-[[2-(4-chlorophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]ethyl]azetidine-1-carboxylate
CID 71768611
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide
CID 87753082

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide (CID 71766663) is 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(C)cn1.
What is the InChIKey of 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
The InChIKey is KRQNCXXLYDWOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-12-5-8-18(22-11-12)25-19(20(26)21-2)15-9-14(13-6-7-13)17(10-16(15)23-25)24(3)29(4,27)28/h5,8-11,13H,6-7H2,1-4H3,(H,21,26).
What are the key properties of 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide is sourced from PubChem (CID 71766663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).