N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide

C24H24N4O2S — CID 166984799

IUPACN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NCCc3nc4c(s3)COCC4)c3ccccc32)cc1
InChIInChI=1S/C24H24N4O2S/c1-16-6-8-17(9-7-16)14-28-20-5-3-2-4-18(20)23(27-28)24(29)25-12-10-22-26-19-11-13-30-15-21(19)31-22/h2-9H,10-15H2,1H3,(H,25,29)
InChIKeyCDWAUDYKQHIREJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide

N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide (PubChem CID 166984799) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide
PubChem CID166984799
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NCCc3nc4c(s3)COCC4)c3ccccc32)cc1
InChIInChI=1S/C24H24N4O2S/c1-16-6-8-17(9-7-16)14-28-20-5-3-2-4-18(20)23(27-28)24(29)25-12-10-22-26-19-11-13-30-15-21(19)31-22/h2-9H,10-15H2,1H3,(H,25,29)
InChIKeyCDWAUDYKQHIREJ-UHFFFAOYSA-N
XLogP3.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
CID 127031694
N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)benzo[d]thiazole-2-carboxamide
CID 71808479
1,5-anhydro-2,4-dideoxy-4-{[(1-methyl-1H-indazol-3-yl)carbonyl]amino}-3-O-(1,3-thiazol-4-ylmethyl)-D-erythro-pentitol
CID 91763749
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
CID 25069626
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
CID 25071545
1-methyl-N-[[(4R)-3-[2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide
CID 25071549
N-[[(4R)-3-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
CID 25071857
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
CID 25117509
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-methylindazole-3-carboxamide
CID 25118579
N-[[(2S)-1-[2-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-methylindazole-3-carboxamide
CID 25119301
N-[[(2S)-1-[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-methylindazole-3-carboxamide
CID 25119656
5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 25188687

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide (CID 166984799) is N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)NCCc3nc4c(s3)COCC4)c3ccccc32)cc1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide?
The InChIKey is CDWAUDYKQHIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-16-6-8-17(9-7-16)14-28-20-5-3-2-4-18(20)23(27-28)24(29)25-12-10-22-26-19-11-13-30-15-21(19)31-22/h2-9H,10-15H2,1H3,(H,25,29).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide?
N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-1-[(4-methylphenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).