3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride

C20H18ClN5O3S — CID 122584375

IUPAC3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)nc1.Cl
InChIInChI=1S/C20H17N5O3S.ClH/c1-28-13-5-7-17(21-10-13)20(27)23-18-15-9-12(4-6-16(15)24-25-18)19(26)22-11-14-3-2-8-29-14;/h2-10H,11H2,1H3,(H,22,26)(H2,23,24,25,27);1H
InChIKeyRIQOMAAQGLLEPZ-UHFFFAOYSA-N
MW443.92 g/mol
LogP3.63
Rot. Bonds6

About 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride

3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride (PubChem CID 122584375) has the molecular formula C20H18ClN5O3S and a molecular weight of 443.92 g/mol. Its IUPAC name is 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride
PubChem CID122584375
Molecular FormulaC20H18ClN5O3S
Molecular Weight443.92 g/mol
Exact Mass443.08
IUPAC Name3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)nc1.Cl
InChIInChI=1S/C20H17N5O3S.ClH/c1-28-13-5-7-17(21-10-13)20(27)23-18-15-9-12(4-6-16(15)24-25-18)19(26)22-11-14-3-2-8-29-14;/h2-10H,11H2,1H3,(H,22,26)(H2,23,24,25,27);1H
InChIKeyRIQOMAAQGLLEPZ-UHFFFAOYSA-N
XLogP3.63
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-nitrobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584500
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584445
3-[(2,4-dimorpholin-4-ylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584476
tert-butyl 4-[4-[[5-(thiophen-2-ylmethylcarbamoyl)-1H-indazol-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate
CID 122584471
tert-butyl 4-[4-[[5-(thiophen-2-ylmethylcarbamoyl)-1H-indazol-3-yl]carbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122595305
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584558
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 8839619
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride (CID 122584375) is 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride is COc1ccc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)nc1.Cl.
What is the InChIKey of 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride?
The InChIKey is RIQOMAAQGLLEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S.ClH/c1-28-13-5-7-17(21-10-13)20(27)23-18-15-9-12(4-6-16(15)24-25-18)19(26)22-11-14-3-2-8-29-14;/h2-10H,11H2,1H3,(H,22,26)(H2,23,24,25,27);1H.
What are the key properties of 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride?
3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride has a molecular weight of 443.92 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 122584375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).