N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide

C26H25N5O2S — CID 138641063

IUPACN-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(C3=CCN(C)CC3)cc12
InChIInChI=1S/C26H25N5O2S/c1-15-17(4-3-5-21(15)30-25(33)26-28-10-13-34-26)18-6-7-19(24(27)32)23-20(18)14-22(29-23)16-8-11-31(2)12-9-16/h3-8,10,13-14,29H,9,11-12H2,1-2H3,(H2,27,32)(H,30,33)
InChIKeyHLKYXVULIBZWLQ-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.67
Rot. Bonds5

About N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide

N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide (PubChem CID 138641063) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
PubChem CID138641063
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(C3=CCN(C)CC3)cc12
InChIInChI=1S/C26H25N5O2S/c1-15-17(4-3-5-21(15)30-25(33)26-28-10-13-34-26)18-6-7-19(24(27)32)23-20(18)14-22(29-23)16-8-11-31(2)12-9-16/h3-8,10,13-14,29H,9,11-12H2,1-2H3,(H2,27,32)(H,30,33)
InChIKeyHLKYXVULIBZWLQ-UHFFFAOYSA-N
XLogP4.67
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide (CID 138641063) is N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide is Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(C3=CCN(C)CC3)cc12.
What is the InChIKey of N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HLKYXVULIBZWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-15-17(4-3-5-21(15)30-25(33)26-28-10-13-34-26)18-6-7-19(24(27)32)23-20(18)14-22(29-23)16-8-11-31(2)12-9-16/h3-8,10,13-14,29H,9,11-12H2,1-2H3,(H2,27,32)(H,30,33).
What are the key properties of N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 138641063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).