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

C24H25N5O2S — CID 139431439

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)c3c2)sn1
InChIInChI=1S/C24H25N5O2S/c1-15-13-22(32-28-15)16-3-8-21-20(14-16)23(27-26-21)24(30)25-17-4-6-18(7-5-17)31-19-9-11-29(2)12-10-19/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyIYVIYYUPMDMHRV-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.72
Rot. Bonds5

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

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 139431439) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide
PubChem CID139431439
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)c3c2)sn1
InChIInChI=1S/C24H25N5O2S/c1-15-13-22(32-28-15)16-3-8-21-20(14-16)23(27-26-21)24(30)25-17-4-6-18(7-5-17)31-19-9-11-29(2)12-10-19/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyIYVIYYUPMDMHRV-UHFFFAOYSA-N
XLogP4.72
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl)-1H-indazole-3-carboxamide
CID 9076354
[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 42362129
N-(oxan-4-ylmethyl)-5-(3-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 168293017
N-[4-(diethylamino)-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1H-indazole-3-carboxamide
CID 17546458
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112370
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
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-[4-(difluoromethoxy)phenyl]-1H-indazole-3-carboxamide
CID 44634846
N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
CID 172451645
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
CID 172456560
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-indazole
CID 7537829
3-[4-(2-Phenoxyethoxy)piperidine-1-carbonyl]-1H-indazole
CID 91907824
3-[2-(Morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]-1H-indazole
CID 110198141

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide (CID 139431439) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide is Cc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)c3c2)sn1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is IYVIYYUPMDMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15-13-22(32-28-15)16-3-8-21-20(14-16)23(27-26-21)24(30)25-17-4-6-18(7-5-17)31-19-9-11-29(2)12-10-19/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(3-methyl-1,2-thiazol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).