4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C20H20ClN7O3S — CID 139365619

IUPAC4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C20H20ClN7O3S/c1-27-20(23-17-7-6-16-15(18(17)21)12-22-25-16)24-19(26-27)13-2-4-14(5-3-13)32(29,30)28-8-10-31-11-9-28/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyLAZCSVXUZKDRPF-UHFFFAOYSA-N
MW473.95 g/mol
LogP2.78
Rot. Bonds5

About 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 139365619) has the molecular formula C20H20ClN7O3S and a molecular weight of 473.95 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID139365619
Molecular FormulaC20H20ClN7O3S
Molecular Weight473.95 g/mol
Exact Mass473.10
IUPAC Name4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C20H20ClN7O3S/c1-27-20(23-17-7-6-16-15(18(17)21)12-22-25-16)24-19(26-27)13-2-4-14(5-3-13)32(29,30)28-8-10-31-11-9-28/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyLAZCSVXUZKDRPF-UHFFFAOYSA-N
XLogP2.78
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.95
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine with MolForge

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Related Compounds

methyl 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]acetate
CID 139366003
4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
CID 139365544
2-[3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139365738
4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
CID 155792161
N-[5-(2-benzyl-4-methyl-3H-pyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine
CID 166883917
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione
CID 18523941
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]butan-1-one
CID 159207842
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide
CID 167579526
2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540681
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide
CID 155792080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 139365619) is 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is Cn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is LAZCSVXUZKDRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O3S/c1-27-20(23-17-7-6-16-15(18(17)21)12-22-25-16)24-19(26-27)13-2-4-14(5-3-13)32(29,30)28-8-10-31-11-9-28/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 473.95 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 139365619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).