CID 143432597

C33H46N5O2 — CID 143432597

IUPAC—
SMILESCOc1ccc(-c2cnc(NC3CCCC(NC(=O)N4CCC(C)CC4)C3)nc2)cc1.[CH]1/C=C\C=C/C=C\C=C/1.[H][H].[H][H]
InChIInChI=1S/C24H33N5O2.C9H9.2H2/c1-17-10-12-29(13-11-17)24(30)28-21-5-3-4-20(14-21)27-23-25-15-19(16-26-23)18-6-8-22(31-2)9-7-18;1-2-4-6-8-9-7-5-3-1;;/h6-9,15-17,20-21H,3-5,10-14H2,1-2H3,(H,28,30)(H,25,26,27);1-9H;2*1H/b;2-1-,5-3-,6-4-,9-7-;;
InChIKeyXMIJSTXOUUJIPO-MZTMFYFZSA-N
MW544.76 g/mol
LogP7.24
Rot. Bonds5

About CID 143432597

CID 143432597 (PubChem CID 143432597) has the molecular formula C33H46N5O2 and a molecular weight of 544.76 g/mol.

Molecular Properties

Compound NameCID 143432597
PubChem CID143432597
Molecular FormulaC33H46N5O2
Molecular Weight544.76 g/mol
Exact Mass544.37
IUPAC Name—
SMILESCOc1ccc(-c2cnc(NC3CCCC(NC(=O)N4CCC(C)CC4)C3)nc2)cc1.[CH]1/C=C\C=C/C=C\C=C/1.[H][H].[H][H]
InChIInChI=1S/C24H33N5O2.C9H9.2H2/c1-17-10-12-29(13-11-17)24(30)28-21-5-3-4-20(14-21)27-23-25-15-19(16-26-23)18-6-8-22(31-2)9-7-18;1-2-4-6-8-9-7-5-3-1;;/h6-9,15-17,20-21H,3-5,10-14H2,1-2H3,(H,28,30)(H,25,26,27);1-9H;2*1H/b;2-1-,5-3-,6-4-,9-7-;;
InChIKeyXMIJSTXOUUJIPO-MZTMFYFZSA-N
XLogP7.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.76
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
N-cyclopentyl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134792457
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[8-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53188932
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132673
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109247542
N-[2-[(1S,3R)-3-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]-3-oxo-1H-isoindol-5-yl]prop-2-enamide
CID 168827302
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859

Frequently Asked Questions

What is the IUPAC name of CID 143432597?
The IUPAC name of CID 143432597 (CID 143432597) is not available.
What is the SMILES notation for CID 143432597?
The canonical SMILES for CID 143432597 is COc1ccc(-c2cnc(NC3CCCC(NC(=O)N4CCC(C)CC4)C3)nc2)cc1.[CH]1/C=C\C=C/C=C\C=C/1.[H][H].[H][H].
What is the InChIKey of CID 143432597?
The InChIKey is XMIJSTXOUUJIPO-MZTMFYFZSA-N. The full InChI is InChI=1S/C24H33N5O2.C9H9.2H2/c1-17-10-12-29(13-11-17)24(30)28-21-5-3-4-20(14-21)27-23-25-15-19(16-26-23)18-6-8-22(31-2)9-7-18;1-2-4-6-8-9-7-5-3-1;;/h6-9,15-17,20-21H,3-5,10-14H2,1-2H3,(H,28,30)(H,25,26,27);1-9H;2*1H/b;2-1-,5-3-,6-4-,9-7-;;.
What are the key properties of CID 143432597?
CID 143432597 has a molecular weight of 544.76 g/mol, XLogP of 7.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143432597 is sourced from PubChem (CID 143432597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).