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

C21H25N5O3S — CID 71766662

IUPAC5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
SMILESCCN(c1cc2nn(-c3ccc(C)cn3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C21H25N5O3S/c1-5-25(30(4,28)29)18-11-17-16(10-15(18)14-7-8-14)20(21(27)22-3)26(24-17)19-9-6-13(2)12-23-19/h6,9-12,14H,5,7-8H2,1-4H3,(H,22,27)
InChIKeyYXYPSFFTHNFXJN-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.75
Rot. Bonds6

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

5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide (PubChem CID 71766662) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
PubChem CID71766662
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
SMILESCCN(c1cc2nn(-c3ccc(C)cn3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C21H25N5O3S/c1-5-25(30(4,28)29)18-11-17-16(10-15(18)14-7-8-14)20(21(27)22-3)26(24-17)19-9-6-13(2)12-23-19/h6,9-12,14H,5,7-8H2,1-4H3,(H,22,27)
InChIKeyYXYPSFFTHNFXJN-UHFFFAOYSA-N
XLogP2.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-pyridinyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 71760906
5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
CID 71766663
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
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-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
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
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide (CID 71766662) is 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide is CCN(c1cc2nn(-c3ccc(C)cn3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.
What is the InChIKey of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
The InChIKey is YXYPSFFTHNFXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-5-25(30(4,28)29)18-11-17-16(10-15(18)14-7-8-14)20(21(27)22-3)26(24-17)19-9-6-13(2)12-23-19/h6,9-12,14H,5,7-8H2,1-4H3,(H,22,27).
What are the key properties of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide?
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide is sourced from PubChem (CID 71766662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).