4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C29H28N4O2S — CID 67987828

IUPAC4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1
InChIInChI=1S/C29H28N4O2S/c1-19-32-26(18-36-19)23-5-9-27(31-17-23)33-28(34)29(11-14-35-15-12-29)24-6-2-20(3-7-24)21-4-8-25-22(16-21)10-13-30-25/h2-9,16-18,30H,10-15H2,1H3,(H,31,33,34)
InChIKeyXPSBJCVFVWRGJQ-UHFFFAOYSA-N
MW496.64 g/mol
LogP5.84
Rot. Bonds5

About 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 67987828) has the molecular formula C29H28N4O2S and a molecular weight of 496.64 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID67987828
Molecular FormulaC29H28N4O2S
Molecular Weight496.64 g/mol
Exact Mass496.19
IUPAC Name4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1
InChIInChI=1S/C29H28N4O2S/c1-19-32-26(18-36-19)23-5-9-27(31-17-23)33-28(34)29(11-14-35-15-12-29)24-6-2-20(3-7-24)21-4-8-25-22(16-21)10-13-30-25/h2-9,16-18,30H,10-15H2,1H3,(H,31,33,34)
InChIKeyXPSBJCVFVWRGJQ-UHFFFAOYSA-N
XLogP5.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methylthiazol-2-yl)amino]-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033254
2-(1H-indol-3-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 28011976
N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-4-(2-pyridylamino)benzamide
CID 127033527
N-(2-aminophenyl)-4-[4-[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
CID 66619201
N-(2-aminophenyl)-4-[4-[4-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
CID 66619346
N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide
CID 66619432
4-phenyl-N-(4-(pyridin-3-yl)thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 45504113
4-phenyl-N-(4-(pyridin-2-yl)thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 56762733
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one
CID 25172882
N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
CID 44623556
N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
CID 44623602
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 57405368

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 67987828) is 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is XPSBJCVFVWRGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S/c1-19-32-26(18-36-19)23-5-9-27(31-17-23)33-28(34)29(11-14-35-15-12-29)24-6-2-20(3-7-24)21-4-8-25-22(16-21)10-13-30-25/h2-9,16-18,30H,10-15H2,1H3,(H,31,33,34).
What are the key properties of 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 496.64 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 67987828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).