N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H33N5O2S — CID 156600476

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1nc(C2CCC3NNC(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)C3C2)cs1
InChIInChI=1S/C24H33N5O2S/c1-15-25-22(14-32-15)16-3-8-21-20(13-16)23(28-27-21)24(30)26-17-4-6-18(7-5-17)31-19-9-11-29(2)12-10-19/h4-7,14,16,19-21,23,27-28H,3,8-13H2,1-2H3,(H,26,30)
InChIKeyUPQKQFQXYWXJJP-UHFFFAOYSA-N
MW455.63 g/mol
LogP3.29
Rot. Bonds5

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600476) has the molecular formula C24H33N5O2S and a molecular weight of 455.63 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600476
Molecular FormulaC24H33N5O2S
Molecular Weight455.63 g/mol
Exact Mass455.24
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1nc(C2CCC3NNC(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)C3C2)cs1
InChIInChI=1S/C24H33N5O2S/c1-15-25-22(14-32-15)16-3-8-21-20(13-16)23(28-27-21)24(30)26-17-4-6-18(7-5-17)31-19-9-11-29(2)12-10-19/h4-7,14,16,19-21,23,27-28H,3,8-13H2,1-2H3,(H,26,30)
InChIKeyUPQKQFQXYWXJJP-UHFFFAOYSA-N
XLogP3.29
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600477
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600439
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600478
[5-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75118315
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indazole-3-carboxamide
CID 139431542
[4-(4-Methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
CID 75118314
[5-[2-(4-Ethylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75118511
[4-(4-Methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
CID 75270183
[4-[(6-Methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 75278424

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600476) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is Cc1nc(C2CCC3NNC(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)C3C2)cs1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is UPQKQFQXYWXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2S/c1-15-25-22(14-32-15)16-3-8-21-20(13-16)23(28-27-21)24(30)26-17-4-6-18(7-5-17)31-19-9-11-29(2)12-10-19/h4-7,14,16,19-21,23,27-28H,3,8-13H2,1-2H3,(H,26,30).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 455.63 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).