N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide

C26H29N7O2S — CID 143224005

IUPACN-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide
SMILESCn1cc2ccc(NC(=O)c3ccccc3NCC3=CCNC(NC(=O)N4CCSCC4)=C3)cc2n1
InChIInChI=1S/C26H29N7O2S/c1-32-17-19-6-7-20(15-23(19)31-32)29-25(34)21-4-2-3-5-22(21)28-16-18-8-9-27-24(14-18)30-26(35)33-10-12-36-13-11-33/h2-8,14-15,17,27-28H,9-13,16H2,1H3,(H,29,34)(H,30,35)
InChIKeyWFYLEEVHXDSPFL-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide

N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide (PubChem CID 143224005) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide
PubChem CID143224005
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC NameN-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide
SMILESCn1cc2ccc(NC(=O)c3ccccc3NCC3=CCNC(NC(=O)N4CCSCC4)=C3)cc2n1
InChIInChI=1S/C26H29N7O2S/c1-32-17-19-6-7-20(15-23(19)31-32)29-25(34)21-4-2-3-5-22(21)28-16-18-8-9-27-24(14-18)30-26(35)33-10-12-36-13-11-33/h2-8,14-15,17,27-28H,9-13,16H2,1H3,(H,29,34)(H,30,35)
InChIKeyWFYLEEVHXDSPFL-UHFFFAOYSA-N
XLogP3.37
TPSA103.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-(2-(piperidin-1-yl)ethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226266
2-(4-((N,1-dimethylpiperidine-3-carboxamido)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226350
2-(4-((1-methylpiperidine-3-carboxamido)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226352
4-Fluoro-N-(1-(1-methylpiperidin-4-yl)-1H-indazol-6-yl)benzamide
CID 44395787
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177907
N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162646040
N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide
CID 58483575
N-(3-carbamoylphenyl)-4-(4-fluoroindazol-1-yl)piperidine-1-carboxamide
CID 89626932
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177912
5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide
CID 118561132
US10562891, Example 148
CID 154826831
N-butyl-2-indazol-2-ylbenzamide
CID 137640518

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide (CID 143224005) is N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide is Cn1cc2ccc(NC(=O)c3ccccc3NCC3=CCNC(NC(=O)N4CCSCC4)=C3)cc2n1.
What is the InChIKey of N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide?
The InChIKey is WFYLEEVHXDSPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-32-17-19-6-7-20(15-23(19)31-32)29-25(34)21-4-2-3-5-22(21)28-16-18-8-9-27-24(14-18)30-26(35)33-10-12-36-13-11-33/h2-8,14-15,17,27-28H,9-13,16H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide?
N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide has a molecular weight of 503.63 g/mol, XLogP of 3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-1,2-dihydropyridin-6-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 143224005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).