5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide

C25H30N4O4S — CID 123169567

IUPAC5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(C(CCC3COC3)S(C)(=O)=O)cc2nn1-c1ccc(C)cn1
InChIInChI=1S/C25H30N4O4S/c1-15-4-9-23(27-12-15)29-24(25(30)26-2)20-10-18(17-6-7-17)19(11-21(20)28-29)22(34(3,31)32)8-5-16-13-33-14-16/h4,9-12,16-17,22H,5-8,13-14H2,1-3H3,(H,26,30)
InChIKeyHUALLVXGNITCNE-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.48
Rot. Bonds8

About 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide

5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide (PubChem CID 123169567) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide
PubChem CID123169567
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(C(CCC3COC3)S(C)(=O)=O)cc2nn1-c1ccc(C)cn1
InChIInChI=1S/C25H30N4O4S/c1-15-4-9-23(27-12-15)29-24(25(30)26-2)20-10-18(17-6-7-17)19(11-21(20)28-29)22(34(3,31)32)8-5-16-13-33-14-16/h4,9-12,16-17,22H,5-8,13-14H2,1-3H3,(H,26,30)
InChIKeyHUALLVXGNITCNE-UHFFFAOYSA-N
XLogP3.48
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
CID 71766662
5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
CID 71766663
ethyl (5R)-5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)indazol-6-yl]-5-methylsulfonylpent-2-enoate
CID 67962384
2-(5-chloro-2-pyridinyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 71760906
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
CID 56963170
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
tert-butyl 3-[2-[[2-(4-chlorophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]ethyl]azetidine-1-carboxylate
CID 71768611
2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide
CID 67962376
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(3-methoxypropanoylamino)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 69250184
N-[1-(5-methyl-2-pyridinyl)-3-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-5-yl]pyridine-2-carboxamide
CID 167509023
tert-butyl N-[3-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylamino]-3-oxopropyl]carbamate
CID 67962379

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide (CID 123169567) is 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(C(CCC3COC3)S(C)(=O)=O)cc2nn1-c1ccc(C)cn1.
What is the InChIKey of 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide?
The InChIKey is HUALLVXGNITCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-15-4-9-23(27-12-15)29-24(25(30)26-2)20-10-18(17-6-7-17)19(11-21(20)28-29)22(34(3,31)32)8-5-16-13-33-14-16/h4,9-12,16-17,22H,5-8,13-14H2,1-3H3,(H,26,30).
What are the key properties of 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide?
5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-2-(5-methyl-2-pyridinyl)-6-[1-methylsulfonyl-3-(oxetan-3-yl)propyl]indazole-3-carboxamide is sourced from PubChem (CID 123169567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).